CAS RN: 39625-04-2
CAS Name: 2-diphenoxyphosphoryloxyethyl(trimethyl)ammonium chloride
OPENEYE Name: 2-diphenoxyphosphoryloxyethyl(trimethyl)ammonium chloride
IUPAC Name: 2-diphenoxyphosphoryloxyethyl(trimethyl)azanium chloride
SYSTEMATIC NAME: 2-diphenoxyphosphoryloxyethyl(trimethyl)azanium chloride
MOLECULAR FORMULA: C17H23ClNO4P
MOLECULAR WEIGHT: 371.795581
SMILES: C[N+](C)(C)CCOP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 41596-67-2
CAS Name: 4-(2-aminoethyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4-(2-aminoethyl)-5-hydroxy-1,2-benzoquinone
IUPAC Name: 4-(2-aminoethyl)-5-hydroxycyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4-(2-azanylethyl)-5-oxidanyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: C1=C(C(=CC(=O)C1=O)O)CCN
Structure:
CAS RN: 35892-59-2
CAS Name: 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
OPENEYE Name: 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
IUPAC Name: 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
SYSTEMATIC NAME: 5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
MOLECULAR FORMULA: C7H8ClN3O4S
MOLECULAR WEIGHT: 265.67412
SMILES: CC1=CC(=[N+]2C(=N1)SC=N2)C.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 34827-34-4
CAS Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
OPENEYE Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
IUPAC Name: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
SYSTEMATIC NAME: methyl sulfate; 6,7,7-trimethyl-5-[8-(6,7,7-trimethyl-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)octyl]-8H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
MOLECULAR FORMULA: C36H52N2O12S2
MOLECULAR WEIGHT: 768.93428
SMILES: CC1(CC2=CC3=C(C=C2C(=[N+]1C)CCCCCCCCC4=[N+](C(CC5=CC6=C(C=C54)OCO6)(C)C)C)OCO3)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]
Structure:
CAS RN: 34566-86-4
CAS Name: 2-[3-hydroxy-1-oxo-4-(trimethylammonio)butoxy]ethyl-trimethylammonium dichloride
OPENEYE Name: [2-hydroxy-4-oxo-4-[2-(trimethylammonio)ethoxy]butyl]-trimethyl-ammonium dichloride
IUPAC Name: [2-hydroxy-4-oxo-4-[2-(trimethylazaniumyl)ethoxy]butyl]-trimethylazanium dichloride
SYSTEMATIC NAME: trimethyl-[2-oxidanyl-4-oxidanylidene-4-[2-(trimethylazaniumyl)ethoxy]butyl]azanium dichloride
MOLECULAR FORMULA: C12H28Cl2N2O3
MOLECULAR WEIGHT: 319.26832
SMILES: C[N+](C)(C)CCOC(=O)CC(C[N+](C)(C)C)O.[Cl-].[Cl-]
Structure:
CAS RN: 30832-57-6
CAS Name: 4-pentoxy-N,N-di(propan-2-yl)-1-naphthalenecarboximidamide hydrochloride
OPENEYE Name: N,N-diisopropyl-4-pentoxy-naphthalene-1-carboxamidine hydrochloride
IUPAC Name: 4-pentoxy-N,N-di(propan-2-yl)naphthalene-1-carboximidamide hydrochloride
SYSTEMATIC NAME: 4-pentoxy-N,N-di(propan-2-yl)naphthalene-1-carboximidamide hydrochloride
MOLECULAR FORMULA: C22H33ClN2O
MOLECULAR WEIGHT: 376.96322
SMILES: CCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(C(C)C)C(C)C.Cl
Structure:
CAS RN: 35286-36-3
CAS Name: 3-fluoro-5-(1-methyl-2-pyrrolidinyl)pyridine
OPENEYE Name: 3-fluoro-5-(1-methylpyrrolidin-2-yl)pyridine
IUPAC Name: 3-fluoro-5-(1-methylpyrrolidin-2-yl)pyridine
SYSTEMATIC NAME: 3-fluoranyl-5-(1-methylpyrrolidin-2-yl)pyridine
MOLECULAR FORMULA: C10H13FN2
MOLECULAR WEIGHT: 180.222023
SMILES: CN1CCCC1C2=CC(=CN=C2)F
Structure:
CAS RN: 156577-11-6
CAS Name: 3-isothiocyanato-5-(1-methyl-2-pyrrolidinyl)pyridine
OPENEYE Name: 3-isothiocyanato-5-(1-methylpyrrolidin-2-yl)pyridine
IUPAC Name: 3-isothiocyanato-5-(1-methylpyrrolidin-2-yl)pyridine
SYSTEMATIC NAME: 3-isothiocyanato-5-(1-methylpyrrolidin-2-yl)pyridine
MOLECULAR FORMULA: C11H13N3S
MOLECULAR WEIGHT: 219.30602
SMILES: CN1CCCC1C2=CC(=CN=C2)N=C=S
Structure:
CAS RN: 114121-68-5
CAS Name: (1R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
OPENEYE Name: (1R)-1-cyclopentyl-1-phenyl-2-[(3R)-quinuclidin-3-yl]oxy-ethanol
IUPAC Name: (1R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenylethanol
SYSTEMATIC NAME: (1R)-2-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1-cyclopentyl-1-phenyl-ethanol
MOLECULAR FORMULA: C20H29NO2
MOLECULAR WEIGHT: 315.44976
SMILES: C1CCC(C1)[C@](CO[C@H]2CN3CCC2CC3)(C4=CC=CC=C4)O
Structure:
CAS RN: 159662-71-2
CAS Name: (2,3-dihydroxyphenyl)methyl-[10-[(2,3-dihydroxyphenyl)methyl-dimethylammonio]decyl]-dimethylammonium dibromide
OPENEYE Name: (2,3-dihydroxyphenyl)methyl-[10-[(2,3-dihydroxyphenyl)methyl-dimethyl-ammonio]decyl]-dimethyl-ammonium dibromide
IUPAC Name: (2,3-dihydroxyphenyl)methyl-[10-[(2,3-dihydroxyphenyl)methyl-dimethylazaniumyl]decyl]-dimethylazanium dibromide
SYSTEMATIC NAME: [2,3-bis(oxidanyl)phenyl]methyl-[10-[[2,3-bis(oxidanyl)phenyl]methyl-dimethyl-azaniumyl]decyl]-dimethyl-azanium dibromide
MOLECULAR FORMULA: C28H46Br2N2O4
MOLECULAR WEIGHT: 634.48384
SMILES: C[N+](C)(CCCCCCCCCC[N+](C)(C)CC1=C(C(=CC=C1)O)O)CC2=C(C(=CC=C2)O)O.[Br-].[Br-]
Structure:
CAS RN: 159662-70-1
CAS Name: (2,3-dihydroxyphenyl)methyl-[6-[(2,3-dihydroxyphenyl)methyl-dimethylammonio]hexyl]-dimethylammonium dibromide
OPENEYE Name: (2,3-dihydroxyphenyl)methyl-[6-[(2,3-dihydroxyphenyl)methyl-dimethyl-ammonio]hexyl]-dimethyl-ammonium dibromide
IUPAC Name: (2,3-dihydroxyphenyl)methyl-[6-[(2,3-dihydroxyphenyl)methyl-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
SYSTEMATIC NAME: [2,3-bis(oxidanyl)phenyl]methyl-[6-[[2,3-bis(oxidanyl)phenyl]methyl-dimethyl-azaniumyl]hexyl]-dimethyl-azanium dibromide
MOLECULAR FORMULA: C24H38Br2N2O4
MOLECULAR WEIGHT: 578.37752
SMILES: C[N+](C)(CCCCCC[N+](C)(C)CC1=C(C(=CC=C1)O)O)CC2=C(C(=CC=C2)O)O.[Br-].[Br-]
Structure:
CAS RN: 153633-01-3
CAS Name: 3-[(2S)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-yl]propanoic acid
OPENEYE Name: 3-[(2S)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-chroman-2-yl]propanoic acid
IUPAC Name: 3-[(2S)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid
SYSTEMATIC NAME: 3-[(2S)-7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(methylcarbamoyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromen-2-yl]propanoic acid
MOLECULAR FORMULA: C31H41NO7
MOLECULAR WEIGHT: 539.65974
SMILES: CCCC1=C(C=CC2=C1O[C@@H](CC2)CCC(=O)O)OCCCOC3=C(C(=C(C=C3)C(=O)NC)OC)CC4CC4
Structure:
CAS RN: 136564-68-6
CAS Name: 3-[[2-methoxy-4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]-5-indolecarboxamide
OPENEYE Name: 3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methyl-butyl]indole-5-carboxamide
IUPAC Name: 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-trifluoro-2-methylbutyl]indole-5-carboxamide
SYSTEMATIC NAME: 3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-N-[(2R)-4,4,4-tris(fluoranyl)-2-methyl-butyl]indole-5-carboxamide
MOLECULAR FORMULA: C31H32F3N3O5S
MOLECULAR WEIGHT: 615.66309
SMILES: CC1=CC=CC=C1S(=O)(=O)NC(=O)C2=CC(=C(C=C2)CC3=CN(C4=C3C=C(C=C4)C(=O)NC[C@H](C)CC(F)(F)F)C)OC
Structure:
CAS RN: 138828-39-4
CAS Name: 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(4-thiazolyl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
OPENEYE Name: 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-thiazol-4-yl-phenoxy]propoxy]-8-propyl-chromane-2-carboxylic acid
IUPAC Name: 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SYSTEMATIC NAME: 7-[3-[2-(cyclopropylmethyl)-3-methoxy-4-(1,3-thiazol-4-yl)phenoxy]propoxy]-8-propyl-3,4-dihydro-2H-chromene-2-carboxylic acid
MOLECULAR FORMULA: C30H35NO6S
MOLECULAR WEIGHT: 537.667
SMILES: CCCC1=C(C=CC2=C1OC(CC2)C(=O)O)OCCCOC3=C(C(=C(C=C3)C4=CSC=N4)OC)CC5CC5
Structure:
CAS RN: 99258-56-7
CAS Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
OPENEYE Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
IUPAC Name: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
SYSTEMATIC NAME: 8,8-dimethoxy-2-phenyl-3,5,6,7-tetrahydro-2H-imidazo[1,2-a]pyridine
MOLECULAR FORMULA: C15H20N2O2
MOLECULAR WEIGHT: 260.3315
SMILES: COC1(CCCN2C1=NC(C2)C3=CC=CC=C3)OC
Structure:
CAS RN: 138605-80-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H39NO2
MOLECULAR WEIGHT: 421.61476
SMILES: CC1CCC(C2(C1(CCC34C2CC(=O)C(C3)NC5=CC=CC=C45)C)CCC=C(C)C)O
Structure:
CAS RN: 15624-00-7
CAS Name: 4-[(2R,3S)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol
OPENEYE Name: 4-[(1R,2S)-2-[4-[2-(diethylamino)ethoxy]phenyl]-1-methyl-propyl]phenol
IUPAC Name: 4-[(2R,3S)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol
SYSTEMATIC NAME: 4-[(2R,3S)-3-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-yl]phenol
MOLECULAR FORMULA: C22H31NO2
MOLECULAR WEIGHT: 341.48704
SMILES: CCN(CC)CCOC1=CC=C(C=C1)[C@@H](C)[C@@H](C)C2=CC=C(C=C2)O
Structure:
CAS RN: 15623-99-1
CAS Name: N,N-diethyl-2-[4-[(2R,3R)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-[4-[(1R,2R)-2-(4-methoxyphenyl)-1-methyl-propyl]phenoxy]ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-[4-[(2R,3R)-3-(4-methoxyphenyl)butan-2-yl]phenoxy]ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-[4-[(2R,3R)-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: 15622-17-0
CAS Name: 4-[(2R,3S)-3-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]butan-2-yl]phenol
OPENEYE Name: 4-[(1R,2S)-1-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]phenol
IUPAC Name: 4-[(2R,3S)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-yl]phenol
SYSTEMATIC NAME: 4-[(2R,3S)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-yl]phenol
MOLECULAR FORMULA: C22H29NO2
MOLECULAR WEIGHT: 339.47116
SMILES: C[C@@H](C1=CC=C(C=C1)O)[C@H](C)C2=CC=C(C=C2)OCCN3CCCC3
Structure:
CAS RN: 15621-34-8
CAS Name: 2-(dibutylamino)-N-(4-hydroxy-5-oxo-1-cyclohepta-1,3,6-trienyl)acetamide hydrochloride
OPENEYE Name: 2-(dibutylamino)-N-(4-hydroxy-5-oxo-cyclohepta-1,3,6-trien-1-yl)acetamide hydrochloride
IUPAC Name: 2-(dibutylamino)-N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)acetamide hydrochloride
SYSTEMATIC NAME: 2-(dibutylamino)-N-(4-oxidanyl-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl)ethanamide hydrochloride
MOLECULAR FORMULA: C17H27ClN2O3
MOLECULAR WEIGHT: 342.86088
SMILES: CCCCN(CCCC)CC(=O)NC1=CC=C(C(=O)C=C1)O.Cl
Structure:
CAS RN: 15621-33-7
CAS Name: N-(7-oxo-1-cyclohepta-1,3,5-trienyl)-2-(1-pyrrolidinyl)acetamide hydrochloride
OPENEYE Name: N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-pyrrolidin-1-yl-acetamide hydrochloride
IUPAC Name: N-(7-oxocyclohepta-1,3,5-trien-1-yl)-2-pyrrolidin-1-ylacetamide hydrochloride
SYSTEMATIC NAME: N-(7-oxidanylidenecyclohepta-1,3,5-trien-1-yl)-2-pyrrolidin-1-yl-ethanamide hydrochloride
MOLECULAR FORMULA: C13H17ClN2O2
MOLECULAR WEIGHT: 268.73928
SMILES: C1CCN(C1)CC(=O)NC2=CC=CC=CC2=O.Cl
Structure:
CAS RN: 15620-54-9
CAS Name: 4,6-dimethyl-2-(3-pyridinyl)-1,3,4-thiadiazinane
OPENEYE Name: 4,6-dimethyl-2-(3-pyridyl)-1,3,4-thiadiazinane
IUPAC Name: 4,6-dimethyl-2-pyridin-3-yl-1,3,4-thiadiazinane
SYSTEMATIC NAME: 4,6-dimethyl-2-pyridin-3-yl-1,3,4-thiadiazinane
MOLECULAR FORMULA: C10H15N3S
MOLECULAR WEIGHT: 209.3112
SMILES: CC1CN(NC(S1)C2=CN=CC=C2)C
Structure:
CAS RN: 15620-49-2
CAS Name: 4,6-dimethyl-2-[3-(1-pyrrolidinyl)propyl]-5,6-dihydro-1,3,4-thiadiazine
OPENEYE Name: 4,6-dimethyl-2-(3-pyrrolidin-1-ylpropyl)-5,6-dihydro-1,3,4-thiadiazine
IUPAC Name: 4,6-dimethyl-2-(3-pyrrolidin-1-ylpropyl)-5,6-dihydro-1,3,4-thiadiazine
SYSTEMATIC NAME: 4,6-dimethyl-2-(3-pyrrolidin-1-ylpropyl)-5,6-dihydro-1,3,4-thiadiazine
MOLECULAR FORMULA: C12H23N3S
MOLECULAR WEIGHT: 241.39612
SMILES: CC1CN(N=C(S1)CCCN2CCCC2)C
Structure:
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