CAS RN: 17810-52-5
CAS Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C21H29BrClNO
MOLECULAR WEIGHT: 426.81806
SMILES: CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC(=CC=C2)Cl.[Br-]
Structure:
CAS RN: 17810-51-4
CAS Name: 1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
OPENEYE Name: 1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
IUPAC Name: 1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C25H38BrNO
MOLECULAR WEIGHT: 448.47932
SMILES: CCCCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCCCC.[Br-]
Structure:
CAS RN: 17798-24-2
CAS Name: N-butan-2-ylcarbamic acid [3-[(2-methyl-1-oxopentyl)amino]phenyl] ester
OPENEYE Name: [3-(2-methylpentanoylamino)phenyl] N-sec-butylcarbamate
IUPAC Name: [3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate
SYSTEMATIC NAME: [3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate
MOLECULAR FORMULA: C17H26N2O3
MOLECULAR WEIGHT: 306.39994
SMILES: CCCC(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)CC
Structure:
CAS RN: 17794-79-5
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-10,13-dimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C23H34O3
MOLECULAR WEIGHT: 358.51426
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@]34C)C)OC(=O)C
Structure:
CAS RN: 17794-13-7
CAS Name: N1,N4-bis[4-(4-amino-1-ethyl-2-imino-5-pyrimidinyl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
OPENEYE Name: N1,N4-bis[4-(4-amino-1-ethyl-2-imino-pyrimidin-5-yl)phenyl]terephthalamide; 4-methylbenzenesulfonic acid
IUPAC Name: 1-N,4-N-bis[4-(4-amino-1-ethyl-2-iminopyrimidin-5-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: N1,N4-bis[4-(4-azanyl-2-azanylidene-1-ethyl-pyrimidin-5-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
MOLECULAR FORMULA: C46H48N10O8S2
MOLECULAR WEIGHT: 933.06552
SMILES: CCN1C=C(C(=NC1=N)N)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CN(C(=N)N=C5N)CC.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
Structure:
CAS RN: 17790-37-3
CAS Name: 4-(4-ethyl-3,5-dimethyl-2-thiazol-3-iumyl)-N,N-dimethylaniline iodide
OPENEYE Name: 4-(4-ethyl-3,5-dimethyl-thiazol-3-ium-2-yl)-N,N-dimethyl-aniline iodide
IUPAC Name: 4-(4-ethyl-3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethylaniline iodide
SYSTEMATIC NAME: 4-(4-ethyl-3,5-dimethyl-1,3-thiazol-3-ium-2-yl)-N,N-dimethyl-aniline iodide
MOLECULAR FORMULA: C15H21IN2S
MOLECULAR WEIGHT: 388.31011
SMILES: CCC1=C(SC(=[N+]1C)C2=CC=C(C=C2)N(C)C)C.[I-]
Structure:
CAS RN: 17790-36-2
CAS Name: N,N-dimethyl-4-(3-methyl-4-pentyl-2-thiazol-3-iumyl)aniline iodide
OPENEYE Name: N,N-dimethyl-4-(3-methyl-4-pentyl-thiazol-3-ium-2-yl)aniline iodide
IUPAC Name: N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide
SYSTEMATIC NAME: N,N-dimethyl-4-(3-methyl-4-pentyl-1,3-thiazol-3-ium-2-yl)aniline iodide
MOLECULAR FORMULA: C17H25IN2S
MOLECULAR WEIGHT: 416.36327
SMILES: CCCCCC1=CSC(=[N+]1C)C2=CC=C(C=C2)N(C)C.[I-]
Structure:
CAS RN: 17781-99-6
CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 4-(1-pyrrolidinyl)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexanecarboxylate hydrochloride
IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C21H28ClNO2
MOLECULAR WEIGHT: 361.90552
SMILES: C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3.Cl
Structure:
CAS RN: 17781-98-5
CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 4-(4-morpholinyl)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-morpholinobut-2-ynyl 1-phenylcyclopentanecarboxylate hydrochloride
IUPAC Name: 4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-morpholin-4-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C20H26ClNO3
MOLECULAR WEIGHT: 363.87834
SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCOCC3.Cl
Structure:
CAS RN: 17781-97-4
CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 4-(1-piperidinyl)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-(1-piperidyl)but-2-ynyl 1-phenylcyclopentanecarboxylate hydrochloride
IUPAC Name: 4-piperidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-piperidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C21H28ClNO2
MOLECULAR WEIGHT: 361.90552
SMILES: C1CCN(CC1)CC#CCOC(=O)C2(CCCC2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 17781-96-3
CAS Name: 1-phenyl-1-cyclohexanecarboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexanecarboxylate hydrochloride
IUPAC Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-(diethylamino)but-2-ynyl 1-phenylcyclohexane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C21H30ClNO2
MOLECULAR WEIGHT: 363.9214
SMILES: CCN(CC)CC#CCOC(=O)C1(CCCCC1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 17781-95-2
CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclopentanecarboxylate hydrochloride
IUPAC Name: 4-(diethylamino)but-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-(diethylamino)but-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C20H28ClNO2
MOLECULAR WEIGHT: 349.89482
SMILES: CCN(CC)CC#CCOC(=O)C1(CCCC1)C2=CC=CC=C2.Cl
Structure:
CAS RN: 17781-94-1
CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 4-(1-pyrrolidinyl)but-2-ynyl ester hydrochloride
OPENEYE Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclopentanecarboxylate hydrochloride
IUPAC Name: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
SYSTEMATIC NAME: 4-pyrrolidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate hydrochloride
MOLECULAR FORMULA: C20H26ClNO2
MOLECULAR WEIGHT: 347.87894
SMILES: C1CCC(C1)(C2=CC=CC=C2)C(=O)OCC#CCN3CCCC3.Cl
Structure:
CAS RN: 17781-86-1
CAS Name: 2-(butylamino)benzoic acid
OPENEYE Name: 2-(butylamino)benzoic acid
IUPAC Name: 2-(butylamino)benzoic acid
SYSTEMATIC NAME: 2-(butylamino)benzoic acid
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: CCCCNC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 17770-30-8
CAS Name: N-(2-cyano-1-thiophen-2-ylethyl)acetamide
OPENEYE Name: N-[2-cyano-1-(2-thienyl)ethyl]acetamide
IUPAC Name: N-(2-cyano-1-thiophen-2-ylethyl)acetamide
SYSTEMATIC NAME: N-(2-cyano-1-thiophen-2-yl-ethyl)ethanamide
MOLECULAR FORMULA: C9H10N2OS
MOLECULAR WEIGHT: 194.2535
SMILES: CC(=O)NC(CC#N)C1=CC=CS1
Structure:
CAS RN: 17765-94-5
CAS Name: 1-(propan-2-ylamino)-3-(2,4,5-trimethylphenoxy)-2-propanol
OPENEYE Name: 1-(isopropylamino)-3-(2,4,5-trimethylphenoxy)propan-2-ol
IUPAC Name: 1-(propan-2-ylamino)-3-(2,4,5-trimethylphenoxy)propan-2-ol
SYSTEMATIC NAME: 1-(propan-2-ylamino)-3-(2,4,5-trimethylphenoxy)propan-2-ol
MOLECULAR FORMULA: C15H25NO2
MOLECULAR WEIGHT: 251.3645
SMILES: CC1=CC(=C(C=C1C)OCC(CNC(C)C)O)C
Structure:
CAS RN: 17758-52-0
CAS Name: 5-methyl-1H-pyrimidin-6-one
OPENEYE Name: 5-methyl-1H-pyrimidin-6-one
IUPAC Name: 5-methyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-methyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C5H6N2O
MOLECULAR WEIGHT: 110.11394
SMILES: CC1=CN=CNC1=O
Structure:
CAS RN: 17755-80-5
CAS Name: 3-[4-(2,6-dimethylphenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C24H33ClN2O4
MOLECULAR WEIGHT: 448.98282
SMILES: CC1=C(C(=CC=C1)C)N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl
Structure:
CAS RN: 17755-74-7
CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C23H31ClN2O5
MOLECULAR WEIGHT: 450.95564
SMILES: COC1=CC=CC(=C1)N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC.Cl
Structure:
CAS RN: 17755-72-5
CAS Name: 3-(4-phenyl-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone hydrochloride
OPENEYE Name: 3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
IUPAC Name: 3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-(4-phenylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one hydrochloride
MOLECULAR FORMULA: C22H29ClN2O4
MOLECULAR WEIGHT: 420.92966
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 17755-70-3
CAS Name: 3-[4-(phenylmethyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride
OPENEYE Name: 3-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
SYSTEMATIC NAME: 3-[4-(phenylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
MOLECULAR FORMULA: C23H32Cl2N2O4
MOLECULAR WEIGHT: 471.41718
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl
Structure:
CAS RN: 17755-68-9
CAS Name: 3-(4-methyl-1-piperazinyl)-1-(3,4,5-trimethoxyphenyl)-1-propanone dihydrochloride
OPENEYE Name: 3-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
IUPAC Name: 3-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
SYSTEMATIC NAME: 3-(4-methylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one dihydrochloride
MOLECULAR FORMULA: C17H28Cl2N2O4
MOLECULAR WEIGHT: 395.32122
SMILES: CN1CCN(CC1)CCC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl.Cl
Structure:
CAS RN: 17754-40-4
CAS Name: 3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine hydrochloride
OPENEYE Name: 3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine hydrochloride
IUPAC Name: 3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine hydrochloride
SYSTEMATIC NAME: 3-(5,6-dihydropyrido[2,3-b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine hydrochloride
MOLECULAR FORMULA: C18H24ClN3
MOLECULAR WEIGHT: 317.85626
SMILES: CN(C)CCCN1C2=CC=CC=C2CCC3=C1N=CC=C3.Cl
Structure:
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