CAS RN: 15561-61-2
CAS Name: 2-[bis(2-chloroethyl)amino]-N-[2-[[2-[bis(2-chloroethyl)amino]-1-oxopropyl]amino]ethyl]propanamide dihydrochloride
OPENEYE Name: 2-[bis(2-chloroethyl)amino]-N-[2-[2-[bis(2-chloroethyl)amino]propanoylamino]ethyl]propanamide dihydrochloride
IUPAC Name: 2-[bis(2-chloroethyl)amino]-N-[2-[2-[bis(2-chloroethyl)amino]propanoylamino]ethyl]propanamide dihydrochloride
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)amino]-N-[2-[2-[bis(2-chloroethyl)amino]propanoylamino]ethyl]propanamide dihydrochloride
MOLECULAR FORMULA: C16H32Cl6N4O2
MOLECULAR WEIGHT: 525.16888
SMILES: CC(C(=O)NCCNC(=O)C(C)N(CCCl)CCCl)N(CCCl)CCCl.Cl.Cl
Structure:
CAS RN: 15542-21-9
CAS Name: 4-[(2R,3R)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol hydrochloride
OPENEYE Name: 4-[(1R,2R)-2-[4-[2-(diethylamino)ethoxy]phenyl]-1-methyl-propyl]phenol hydrochloride
IUPAC Name: 4-[(2R,3R)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol hydrochloride
SYSTEMATIC NAME: 4-[(2R,3R)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol hydrochloride
MOLECULAR FORMULA: C22H32ClNO2
MOLECULAR WEIGHT: 377.94798
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@H](C)[C@@H](C)C2=CC=C(C=C2)O.Cl
Structure:
CAS RN: 15536-55-7
CAS Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole hydroiodide
OPENEYE Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-3,5-dimethyl-pyrrole hydroiodide
IUPAC Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethylpyrrole hydroiodide
SYSTEMATIC NAME: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,5-dimethyl-pyrrole hydroiodide
MOLECULAR FORMULA: C13H17IN2
MOLECULAR WEIGHT: 328.19195
SMILES: CC1=CC(=NC1=CC2=C(C=C(N2)C)C)C.I
Structure:
CAS RN: 15534-04-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22ClNO
MOLECULAR WEIGHT: 315.83708
SMILES: CNCCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
Structure:
CAS RN: 15521-09-2
CAS Name: trimethyl-[1-[oxo-(1,1,6-trimethyl-2-piperidin-1-iumyl)methoxy]propan-2-yl]ammonium diiodide
OPENEYE Name: trimethyl-[1-methyl-2-(1,1,6-trimethylpiperidin-1-ium-2-carbonyl)oxy-ethyl]ammonium diiodide
IUPAC Name: trimethyl-[1-(1,1,6-trimethylpiperidin-1-ium-2-carbonyl)oxypropan-2-yl]azanium diiodide
SYSTEMATIC NAME: trimethyl-[1-(1,1,6-trimethylpiperidin-1-ium-2-yl)carbonyloxypropan-2-yl]azanium diiodide
MOLECULAR FORMULA: C15H32I2N2O2
MOLECULAR WEIGHT: 526.23572
SMILES: CC1CCCC([N+]1(C)C)C(=O)OCC(C)[N+](C)(C)C.[I-].[I-]
Structure:
CAS RN: 15515-48-7
CAS Name: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]piperidine
OPENEYE Name: 1-[2-[4-[(1R,2S)-2-(4-methoxyphenyl)-1-methyl-propyl]phenoxy]ethyl]piperidine
IUPAC Name: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]piperidine
SYSTEMATIC NAME: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]piperidine
MOLECULAR FORMULA: C24H33NO2
MOLECULAR WEIGHT: 367.52432
SMILES: C[C@H](C1=CC=C(C=C1)OC)[C@@H](C)C2=CC=C(C=C2)OCCN3CCCCC3
Structure:
CAS RN: 15515-47-6
CAS Name: 4-[(2R,3S)-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]butan-2-yl]phenol
OPENEYE Name: 4-[(1R,2S)-1-methyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]propyl]phenol
IUPAC Name: 4-[(2R,3S)-3-[4-(2-piperidin-1-ylethoxy)phenyl]butan-2-yl]phenol
SYSTEMATIC NAME: 4-[(2R,3S)-3-[4-(2-piperidin-1-ylethoxy)phenyl]butan-2-yl]phenol
MOLECULAR FORMULA: C23H31NO2
MOLECULAR WEIGHT: 353.49774
SMILES: C[C@@H](C1=CC=C(C=C1)O)[C@H](C)C2=CC=C(C=C2)OCCN3CCCCC3
Structure:
CAS RN: 15515-45-4
CAS Name: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]pyrrolidine hydrochloride
OPENEYE Name: 1-[2-[4-[(1R,2S)-2-(4-methoxyphenyl)-1-methyl-propyl]phenoxy]ethyl]pyrrolidine hydrochloride
IUPAC Name: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]pyrrolidine hydrochloride
SYSTEMATIC NAME: 1-[2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethyl]pyrrolidine hydrochloride
MOLECULAR FORMULA: C23H32ClNO2
MOLECULAR WEIGHT: 389.95868
SMILES: C[C@H](C1=CC=C(C=C1)OC)[C@@H](C)C2=CC=C(C=C2)OCCN3CCCC3.Cl
Structure:
CAS RN: 15515-44-3
CAS Name: 1-[2-[4-[(2S,3R)-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]butan-2-yl]phenoxy]ethyl]pyrrolidine
OPENEYE Name: 1-[2-[4-[(1S,2R)-1-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]phenoxy]ethyl]pyrrolidine
IUPAC Name: 1-[2-[4-[(2S,3R)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-yl]phenoxy]ethyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-[4-[(2S,3R)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-yl]phenoxy]ethyl]pyrrolidine
MOLECULAR FORMULA: C28H40N2O2
MOLECULAR WEIGHT: 436.6294
SMILES: C[C@H](C1=CC=C(C=C1)OCCN2CCCC2)[C@@H](C)C3=CC=C(C=C3)OCCN4CCCC4
Structure:
CAS RN: 15515-42-1
CAS Name: 4-[(2R,3S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenol
OPENEYE Name: 4-[(1R,2S)-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-propyl]phenol
IUPAC Name: 4-[(2R,3S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenol
SYSTEMATIC NAME: 4-[(2R,3S)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenol
MOLECULAR FORMULA: C20H27NO2
MOLECULAR WEIGHT: 313.43388
SMILES: C[C@@H](C1=CC=C(C=C1)O)[C@H](C)C2=CC=C(C=C2)OCCN(C)C
Structure:
CAS RN: 15515-41-0
CAS Name: 2-[4-[(2S,3R)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[4-[(1S,2R)-2-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-propyl]phenoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[4-[(2S,3R)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[4-[(2S,3R)-3-[4-[2-(dimethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C24H36N2O2
MOLECULAR WEIGHT: 384.55484
SMILES: C[C@H](C1=CC=C(C=C1)OCCN(C)C)[C@@H](C)C2=CC=C(C=C2)OCCN(C)C
Structure:
CAS RN: 15515-40-9
CAS Name: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethylethanamine dihydrochloride
OPENEYE Name: 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1-methyl-propyl]phenoxy]-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C28H46Cl2N2O2
MOLECULAR WEIGHT: 513.58304
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(C)C(C)C2=CC=C(C=C2)OCCN(CC)CC.Cl.Cl
Structure:
CAS RN: 15542-20-8
CAS Name: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethylethanamine dihydrochloride
OPENEYE Name: 2-[4-[2-[4-[2-(diethylamino)ethoxy]phenyl]-1-methyl-propyl]phenoxy]-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[4-[3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenoxy]-N,N-diethyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C28H46Cl2N2O2
MOLECULAR WEIGHT: 513.58304
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(C)C(C)C2=CC=C(C=C2)OCCN(CC)CC.Cl.Cl
Structure:
CAS RN: 15515-39-6
CAS Name: N,N-diethyl-2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[(1R,2S)-2-(4-methoxyphenyl)-1-methyl-propyl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(2R,3S)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethanamine hydrochloride
MOLECULAR FORMULA: C23H34ClNO2
MOLECULAR WEIGHT: 391.97456
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@H](C)[C@H](C)C2=CC=C(C=C2)OC.Cl
Structure:
CAS RN: 15512-85-3
CAS Name: N-(2-chloroethyl)-N-ethyl-2-phenylethanamine hydrochloride
OPENEYE Name: N-(2-chloroethyl)-N-ethyl-2-phenyl-ethanamine hydrochloride
IUPAC Name: N-(2-chloroethyl)-N-ethyl-2-phenylethanamine hydrochloride
SYSTEMATIC NAME: N-(2-chloroethyl)-N-ethyl-2-phenyl-ethanamine hydrochloride
MOLECULAR FORMULA: C12H19Cl2N
MOLECULAR WEIGHT: 248.19196
SMILES: CCN(CCC1=CC=CC=C1)CCCl.Cl
Structure:
CAS RN: 15504-09-3
CAS Name: 2-[2-(diethylamino)ethyl]-4-methoxybenzenecarbothioic S-acid hydrochloride
OPENEYE Name: 2-[2-(diethylamino)ethyl]-4-methoxy-benzenecarbothioic S-acid hydrochloride
IUPAC Name: 2-[2-(diethylamino)ethyl]-4-methoxybenzenecarbothioic S-acid hydrochloride
SYSTEMATIC NAME: 2-[2-(diethylamino)ethyl]-4-methoxy-benzenecarbothioic S-acid hydrochloride
MOLECULAR FORMULA: C14H22ClNO2S
MOLECULAR WEIGHT: 303.84798
SMILES: CCN(CC)CCC1=C(C=CC(=C1)OC)C(=O)S.Cl
Structure:
CAS RN: 15500-69-3
CAS Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methyl-1-piperidin-1-iumyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
OPENEYE Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
IUPAC Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
SYSTEMATIC NAME: (2S,3S,5S,8R,9S,10S,13S,14S,16S)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one dibromide
MOLECULAR FORMULA: C31H54Br2N2O2
MOLECULAR WEIGHT: 646.58066
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)[N+]6(CCCCC6)C)C.[Br-].[Br-]
Structure:
CAS RN: 15500-67-1
CAS Name: acetic acid [(3S,5S,10S,13S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(4-methyl-4-morpholin-4-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester diiodide
OPENEYE Name: [(3S,5S,10S,13S,17R)-17-acetoxy-10,13-dimethyl-2,16-bis(4-methylmorpholin-4-ium-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate diiodide
IUPAC Name: [(3S,5S,10S,13S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(4-methylmorpholin-4-ium-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate diiodide
SYSTEMATIC NAME: [(3S,5S,10S,13S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(4-methylmorpholin-4-ium-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate diiodide
MOLECULAR FORMULA: C33H56I2N2O6
MOLECULAR WEIGHT: 830.61648
SMILES: CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]4(CCOCC4)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)[N+]6(CCOCC6)C)C.[I-].[I-]
Structure:
CAS RN: 15500-65-9
CAS Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-bis(1-methyl-1-piperidin-1-iumyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
OPENEYE Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
IUPAC Name: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
SYSTEMATIC NAME: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol dibromide
MOLECULAR FORMULA: C31H56Br2N2O2
MOLECULAR WEIGHT: 648.59654
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCCC4)C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)[N+]6(CCCCC6)C)C.[Br-].[Br-]
Structure:
CAS RN: 15499-19-1
CAS Name: N-(7-oxo-1-cyclohepta-1,3,5-trienyl)-2-(1-piperidinyl)acetamide hydrochloride
OPENEYE Name: N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-(1-piperidyl)acetamide hydrochloride
IUPAC Name: N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-piperidin-1-ylacetamide hydrochloride
SYSTEMATIC NAME: N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)-2-piperidin-1-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: C1CCN(CC1)CC(=O)NC2=CC=CC=CC2=O.Cl
Structure:
CAS RN: 15499-18-0
CAS Name: 2-(4-morpholinyl)-N-(7-oxo-1-cyclohepta-1,3,5-trienyl)acetamide hydrochloride
OPENEYE Name: 2-morpholino-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
IUPAC Name: 2-morpholin-4-yl-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-morpholin-4-yl-N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C13H17ClN2O3
MOLECULAR WEIGHT: 284.73868
SMILES: C1COCCN1CC(=O)NC2=CC=CC=CC2=O.Cl
Structure:
CAS RN: 15499-17-9
CAS Name: 2-(dibutylamino)-N-(7-oxo-1-cyclohepta-1,3,5-trienyl)acetamide hydrochloride
OPENEYE Name: 2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
IUPAC Name: 2-(dibutylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(dibutylamino)-N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C17H27ClN2O2
MOLECULAR WEIGHT: 326.86148
SMILES: CCCCN(CCCC)CC(=O)NC1=CC=CC=CC1=O.Cl
Structure:
CAS RN: 15499-16-8
CAS Name: N-[4-[3-(diethylamino)propylamino]-5-oxo-1-cyclohepta-1,3,6-trienyl]acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N-[4-[3-(diethylamino)propylamino]-5-oxo-cyclohepta-1,3,6-trien-1-yl]acetamide
IUPAC Name: N-[4-[3-(diethylamino)propylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N-[4-[3-(diethylamino)propylamino]-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]ethanamide; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H33N3O9
MOLECULAR WEIGHT: 483.51212
SMILES: CCN(CC)CCCNC1=CC=C(C=CC1=O)NC(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 15499-11-3
CAS Name: N-[5-oxo-4-[[1-oxo-2-(1-piperidinyl)ethyl]amino]-1-cyclohepta-1,3,6-trienyl]-2-(1-piperidinyl)acetamide
OPENEYE Name: N-[5-oxo-4-[[2-(1-piperidyl)acetyl]amino]cyclohepta-1,3,6-trien-1-yl]-2-(1-piperidyl)acetamide
IUPAC Name: N-[5-oxo-4-[(2-piperidin-1-ylacetyl)amino]cyclohepta-1,3,6-trien-1-yl]-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-[5-oxidanylidene-4-(2-piperidin-1-ylethanoylamino)cyclohepta-1,3,6-trien-1-yl]-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C21H30N4O3
MOLECULAR WEIGHT: 386.4879
SMILES: C1CCN(CC1)CC(=O)NC2=CC=C(C(=O)C=C2)NC(=O)CN3CCCCC3
Structure:
CAS RN: 15499-08-8
CAS Name: N-[4-[2-(diethylamino)ethylamino]-5-oxo-1-cyclohepta-1,3,6-trienyl]acetamide
OPENEYE Name: N-[4-[2-(diethylamino)ethylamino]-5-oxo-cyclohepta-1,3,6-trien-1-yl]acetamide
IUPAC Name: N-[4-[2-(diethylamino)ethylamino]-5-oxocyclohepta-1,3,6-trien-1-yl]acetamide
SYSTEMATIC NAME: N-[4-[2-(diethylamino)ethylamino]-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]ethanamide
MOLECULAR FORMULA: C15H23N3O2
MOLECULAR WEIGHT: 277.36202
SMILES: CCN(CC)CCNC1=CC=C(C=CC1=O)NC(=O)C
Structure:
CAS RN: 15498-98-3
CAS Name: 2-(diethylamino)-N-(7-oxo-1-cyclohepta-1,3,5-trienyl)acetamide hydrochloride
OPENEYE Name: 2-(diethylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
IUPAC Name: 2-(diethylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)-N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C13H19ClN2O2
MOLECULAR WEIGHT: 270.75516
SMILES: CCN(CC)CC(=O)NC1=CC=CC=CC1=O.Cl
Structure:
CAS RN: 15498-93-8
CAS Name: 2-(dimethylamino)-N-(7-oxo-1-cyclohepta-1,3,5-trienyl)acetamide hydrochloride
OPENEYE Name: 2-(dimethylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
IUPAC Name: 2-(dimethylamino)-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(dimethylamino)-N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C11H15ClN2O2
MOLECULAR WEIGHT: 242.702
SMILES: CN(C)CC(=O)NC1=CC=CC=CC1=O.Cl
Structure:
CAS RN: 15495-67-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: CN(C)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.Cl
Structure:
CAS RN: 15495-06-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H30INO
MOLECULAR WEIGHT: 475.40557
SMILES: C[N+]1(CCCCC1)CCOC23CCC(C4=CC=CC=C42)C5=CC=CC=C35.[I-]
Structure:
CAS RN: 15493-35-3
CAS Name: calcium 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[[(2R,3R,4R,5S)-3-[[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)-2-oxanyl]oxy]-4-formyl-4-hydroxy-5-methyl-2-oxolanyl]oxy]-2,5,6-trihydroxycyclohexyl]guanidine dichloride
OPENEYE Name: calcium 2-[(1S,2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-formyl-4-hydroxy-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine dichloride
IUPAC Name: calcium 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine dichloride
SYSTEMATIC NAME: calcium 2-[(1R,2R,3S,4R,5R,6S)-3-[bis(azanyl)methylideneamino]-4-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-methanoyl-5-methyl-4-oxidanyl-oxolan-2-yl]oxy-2,5,6-tris(oxidanyl)cyclohexyl]guanidine d
MOLECULAR FORMULA: C21H39CaCl2N7O12
MOLECULAR WEIGHT: 692.55806
SMILES: C[C@H]1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]([C@H]2O)O)N=C(N)N)O)N=C(N)N)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)NC)(C=O)O.[Cl-].[Cl-].[Ca+2]
Structure:
CAS RN: 15486-40-5
CAS Name: acetic acid [5-amino-2-[5-(1,3-dioxo-2-isoindolyl)pentoxy]phenyl]methyl ester hydrochloride
OPENEYE Name: [5-amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentoxy]phenyl]methyl acetate hydrochloride
IUPAC Name: [5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]phenyl]methyl acetate hydrochloride
SYSTEMATIC NAME: [5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]phenyl]methyl ethanoate hydrochloride
MOLECULAR FORMULA: C22H25ClN2O5
MOLECULAR WEIGHT: 432.8973
SMILES: CC(=O)OCC1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O.Cl
Structure:
CAS RN: 15485-55-9
CAS Name: N-[2-(diethylamino)ethyl]-2-(1-naphthalenyl)acetamide
OPENEYE Name: N-[2-(diethylamino)ethyl]-2-(1-naphthyl)acetamide
IUPAC Name: N-[2-(diethylamino)ethyl]-2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-2-naphthalen-1-yl-ethanamide
MOLECULAR FORMULA: C18H24N2O
MOLECULAR WEIGHT: 284.39596
SMILES: CCN(CC)CCNC(=O)CC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 15485-48-0
CAS Name: 2-(4-chlorophenoxy)propanoic acid 2-(dimethylamino)ethyl ester
OPENEYE Name: 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)propanoate
IUPAC Name: 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)propanoate
SYSTEMATIC NAME: 2-(dimethylamino)ethyl 2-(4-chloranylphenoxy)propanoate
MOLECULAR FORMULA: C13H18ClNO3
MOLECULAR WEIGHT: 271.73992
SMILES: CC(C(=O)OCCN(C)C)OC1=CC=C(C=C1)Cl
Structure:
CAS RN: 15483-63-3
CAS Name: 4-methyl-4-[[2-[2-[4-[(4-methyl-4-morpholin-4-iumyl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium diiodide
OPENEYE Name: 4-methyl-4-[[2-[2-[4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium diiodide
IUPAC Name: 4-methyl-4-[[2-[2-[4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium diiodide
SYSTEMATIC NAME: 4-methyl-4-[[2-[2-[4-[(4-methylmorpholin-4-ium-4-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]morpholin-4-ium diiodide
MOLECULAR FORMULA: C20H38I2N2O6
MOLECULAR WEIGHT: 656.33446
SMILES: C[N+]1(CCOCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCOCC4)C.[I-].[I-]
Structure:
CAS RN: 15483-62-2
CAS Name: 1-methyl-1-[[2-[2-[4-[(1-methyl-1-piperidin-1-iumyl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
OPENEYE Name: 1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
IUPAC Name: 1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
SYSTEMATIC NAME: 1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
MOLECULAR FORMULA: C22H42I2N2O4
MOLECULAR WEIGHT: 652.38882
SMILES: C[N+]1(CCCCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCCCC4)C.[I-].[I-]
Structure:
CAS RN: 15482-26-5
CAS Name: 2-hydroxy-1-(4-methylphenyl)-1-propanone
OPENEYE Name: 2-hydroxy-1-(p-tolyl)propan-1-one
IUPAC Name: 2-hydroxy-1-(4-methylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(4-methylphenyl)-2-oxidanyl-propan-1-one
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC=C(C=C1)C(=O)C(C)O
Structure:
CAS RN: 15480-76-9
CAS Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate
OPENEYE Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate
IUPAC Name: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate
SYSTEMATIC NAME: tetrasodium [4-[cyclohexylidene-(4-phosphonatooxyphenyl)methyl]phenyl] phosphate
MOLECULAR FORMULA: C19H18Na4O8P2
MOLECULAR WEIGHT: 528.248022
SMILES: C1CCC(=C(C2=CC=C(C=C2)OP(=O)([O-])[O-])C3=CC=C(C=C3)OP(=O)([O-])[O-])CC1.[Na+].[Na+].[Na+].[Na+]
Structure:
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