CAS RN: 7418-88-4
CAS Name: 1-(1-prop-2-enylcyclohexyl)pyrrolidine
OPENEYE Name: 1-(1-allylcyclohexyl)pyrrolidine
IUPAC Name: 1-(1-prop-2-enylcyclohexyl)pyrrolidine
SYSTEMATIC NAME: 1-(1-prop-2-enylcyclohexyl)pyrrolidine
MOLECULAR FORMULA: C13H23N
MOLECULAR WEIGHT: 193.32842
SMILES: C=CCC1(CCCCC1)N2CCCC2
Structure:
CAS RN: 7418-87-3
CAS Name: 1-(1-ethylcyclohexyl)piperidine
OPENEYE Name: 1-(1-ethylcyclohexyl)piperidine
IUPAC Name: 1-(1-ethylcyclohexyl)piperidine
SYSTEMATIC NAME: 1-(1-ethylcyclohexyl)piperidine
MOLECULAR FORMULA: C13H25N
MOLECULAR WEIGHT: 195.3443
SMILES: CCC1(CCCCC1)N2CCCCC2
Structure:
CAS RN: 7418-86-2
CAS Name: 1-(1-ethenylcyclohexyl)piperidine
OPENEYE Name: 1-(1-vinylcyclohexyl)piperidine
IUPAC Name: 1-(1-ethenylcyclohexyl)piperidine
SYSTEMATIC NAME: 1-(1-ethenylcyclohexyl)piperidine
MOLECULAR FORMULA: C13H23N
MOLECULAR WEIGHT: 193.32842
SMILES: C=CC1(CCCCC1)N2CCCCC2
Structure:
CAS RN: 7418-80-6
CAS Name: 1-(1-prop-2-enylcyclohexyl)piperidine
OPENEYE Name: 1-(1-allylcyclohexyl)piperidine
IUPAC Name: 1-(1-prop-2-enylcyclohexyl)piperidine
SYSTEMATIC NAME: 1-(1-prop-2-enylcyclohexyl)piperidine
MOLECULAR FORMULA: C14H25N
MOLECULAR WEIGHT: 207.355
SMILES: C=CCC1(CCCCC1)N2CCCCC2
Structure:
CAS RN: 7411-99-6
CAS Name: 5-(dimethylamino)-4,4-dimethyl-1,1,5-triphenyl-1-pentanol
OPENEYE Name: 5-(dimethylamino)-4,4-dimethyl-1,1,5-triphenyl-pentan-1-ol
IUPAC Name: 5-(dimethylamino)-4,4-dimethyl-1,1,5-triphenylpentan-1-ol
SYSTEMATIC NAME: 5-(dimethylamino)-4,4-dimethyl-1,1,5-triphenyl-pentan-1-ol
MOLECULAR FORMULA: C27H33NO
MOLECULAR WEIGHT: 387.55702
SMILES: CC(C)(CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C(C3=CC=CC=C3)N(C)C
Structure:
CAS RN: 7411-75-8
CAS Name: 1,5-dicyclohexyl-N,N,2,2-tetramethyl-1-pentanamine
OPENEYE Name: 1,5-dicyclohexyl-N,N,2,2-tetramethyl-pentan-1-amine
IUPAC Name: 1,5-dicyclohexyl-N,N,2,2-tetramethylpentan-1-amine
SYSTEMATIC NAME: 1,5-dicyclohexyl-N,N,2,2-tetramethyl-pentan-1-amine
MOLECULAR FORMULA: C21H41N
MOLECULAR WEIGHT: 307.55694
SMILES: CC(C)(CCCC1CCCCC1)C(C2CCCCC2)N(C)C
Structure:
CAS RN: 7410-09-5
CAS Name: 2,4-diphenyl-5-pyridin-4-yl-4H-pyrazol-3-one hydrochloride
OPENEYE Name: 2,4-diphenyl-5-(4-pyridyl)-4H-pyrazol-3-one hydrochloride
IUPAC Name: 2,4-diphenyl-5-pyridin-4-yl-4H-pyrazol-3-one hydrochloride
SYSTEMATIC NAME: 2,4-diphenyl-5-pyridin-4-yl-4H-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C20H16ClN3O
MOLECULAR WEIGHT: 349.81354
SMILES: C1=CC=C(C=C1)C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=NC=C4.Cl
Structure:
CAS RN: 7410-08-4
CAS Name: 2,4-diphenyl-5-(3-pyridinyl)-4H-pyrazol-3-one hydrochloride
OPENEYE Name: 2,4-diphenyl-5-(3-pyridyl)-4H-pyrazol-3-one hydrochloride
IUPAC Name: 2,4-diphenyl-5-pyridin-3-yl-4H-pyrazol-3-one hydrochloride
SYSTEMATIC NAME: 2,4-diphenyl-5-pyridin-3-yl-4H-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C20H16ClN3O
MOLECULAR WEIGHT: 349.81354
SMILES: C1=CC=C(C=C1)C2C(=NN(C2=O)C3=CC=CC=C3)C4=CN=CC=C4.Cl
Structure:
CAS RN: 7410-07-3
CAS Name: 2,4-diphenyl-5-(2-pyridinyl)-4H-pyrazol-3-one hydrochloride
OPENEYE Name: 2,4-diphenyl-5-(2-pyridyl)-4H-pyrazol-3-one hydrochloride
IUPAC Name: 2,4-diphenyl-5-pyridin-2-yl-4H-pyrazol-3-one hydrochloride
SYSTEMATIC NAME: 2,4-diphenyl-5-pyridin-2-yl-4H-pyrazol-3-one hydrochloride
MOLECULAR FORMULA: C20H16ClN3O
MOLECULAR WEIGHT: 349.81354
SMILES: C1=CC=C(C=C1)C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=N4.Cl
Structure:
CAS RN: 7409-50-9
CAS Name: 2-[di(propan-2-yl)amino]acetamide
OPENEYE Name: 2-(diisopropylamino)acetamide
IUPAC Name: 2-[di(propan-2-yl)amino]acetamide
SYSTEMATIC NAME: 2-[di(propan-2-yl)amino]ethanamide
MOLECULAR FORMULA: C8H18N2O
MOLECULAR WEIGHT: 158.24132
SMILES: CC(C)N(CC(=O)N)C(C)C
Structure:
CAS RN: 7393-66-0
CAS Name: 2-phenoxyethanethioic acid S-(10-phenoxarsininyl) ester
OPENEYE Name: S-phenoxarsinin-10-yl 2-phenoxyethanethioate
IUPAC Name: S-phenoxarsinin-10-yl 2-phenoxyethanethioate
SYSTEMATIC NAME: S-phenoxarsinin-10-yl 2-phenoxyethanethioate
MOLECULAR FORMULA: C20H15AsO3S
MOLECULAR WEIGHT: 410.3179
SMILES: C1=CC=C(C=C1)OCC(=O)S[As]2C3=CC=CC=C3OC4=CC=CC=C42
Structure:
CAS RN: 7389-46-0
CAS Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 3,4-dimethyl-2-phenylmorpholine
OPENEYE Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 3,4-dimethyl-2-phenyl-morpholine
IUPAC Name: (2S,3S)-2,3-dihydroxybutanedioic acid; 3,4-dimethyl-2-phenylmorpholine
SYSTEMATIC NAME: (2S,3S)-2,3-bis(oxidanyl)butanedioic acid; 3,4-dimethyl-2-phenyl-morpholine
MOLECULAR FORMULA: C16H23NO7
MOLECULAR WEIGHT: 341.35632
SMILES: CC1C(OCCN1C)C2=CC=CC=C2.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 7388-07-0
CAS Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol hydrochloride
OPENEYE Name: 2-[(5-bromobenzothiophen-3-yl)methyl-ethyl-amino]ethanol hydrochloride
IUPAC Name: 2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-bromanyl-1-benzothiophen-3-yl)methyl-ethyl-amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H17BrClNOS
MOLECULAR WEIGHT: 350.70218
SMILES: CCN(CCO)CC1=CSC2=C1C=C(C=C2)Br.Cl
Structure:
CAS RN: 7388-06-9
CAS Name: 2-[1-benzothiophen-3-ylmethyl(ethyl)amino]ethanol hydrochloride
OPENEYE Name: 2-[benzothiophen-3-ylmethyl(ethyl)amino]ethanol hydrochloride
IUPAC Name: 2-[1-benzothiophen-3-ylmethyl(ethyl)amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[1-benzothiophen-3-ylmethyl(ethyl)amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H18ClNOS
MOLECULAR WEIGHT: 271.80612
SMILES: CCN(CCO)CC1=CSC2=CC=CC=C21.Cl
Structure:
CAS RN: 7388-03-6
CAS Name: (1R)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
OPENEYE Name: (1R)-2-(isopropylamino)-1-(4-nitrophenyl)ethanol hydrochloride
IUPAC Name: (1R)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
SYSTEMATIC NAME: (1R)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
MOLECULAR FORMULA: C11H17ClN2O3
MOLECULAR WEIGHT: 260.71728
SMILES: CC(C)NC[C@@H](C1=CC=C(C=C1)[N+](=O)[O-])O.Cl
Structure:
CAS RN: 7387-97-5
CAS Name: hydrogen sulfate; 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]-1-propylpiperidin-1-ium
OPENEYE Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-propyl-piperidin-1-ium; hydrogen sulfate
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-propylpiperidin-1-ium; hydrogen sulfate
SYSTEMATIC NAME: hydrogen sulfate; 1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]-1-propyl-piperidin-1-ium
MOLECULAR FORMULA: C24H35NO5S
MOLECULAR WEIGHT: 449.6034
SMILES: CCC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.OS(=O)(=O)[O-]
Structure:
CAS RN: 7387-95-3
CAS Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylammonium; 4-methylbenzenesulfonate
OPENEYE Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: 3-[2-[hydroxy(diphenyl)methyl]phenoxy]propyl-trimethylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-methylbenzenesulfonate; trimethyl-[3-[2-[oxidanyl(diphenyl)methyl]phenoxy]propyl]azanium
MOLECULAR FORMULA: C32H37NO5S
MOLECULAR WEIGHT: 547.70488
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 7383-82-6
CAS Name: 1-[3-(1-pyrrolidinyl)propyl]-2-pyrrolidinone
OPENEYE Name: 1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-2-one
IUPAC Name: 1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-2-one
SYSTEMATIC NAME: 1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-2-one
MOLECULAR FORMULA: C11H20N2O
MOLECULAR WEIGHT: 196.2893
SMILES: C1CCN(C1)CCCN2CCCC2=O
Structure:
CAS RN: 7380-76-9
CAS Name: 5-hexen-2-amine
OPENEYE Name: hex-5-en-2-amine
IUPAC Name: hex-5-en-2-amine
SYSTEMATIC NAME: hex-5-en-2-amine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC(CCC=C)N
Structure:
CAS RN: 7361-35-5
CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[4-(1-methyl-1-piperidin-1-iumyl)butyl] ester diiodide
OPENEYE Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
SYSTEMATIC NAME: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
MOLECULAR FORMULA: C38H56I2N2O4
MOLECULAR WEIGHT: 858.67118
SMILES: C[N+]1(CCCCC1)CCCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-]
Structure:
CAS RN: 7387-90-8
CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[4-(1-methyl-1-piperidin-1-iumyl)butyl] ester diiodide
OPENEYE Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
SYSTEMATIC NAME: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
MOLECULAR FORMULA: C38H56I2N2O4
MOLECULAR WEIGHT: 858.67118
SMILES: C[N+]1(CCCCC1)CCCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-]
Structure:
CAS RN: 7356-70-9
CAS Name: N-phenylcarbamic acid [1-(diethylamino)-3-phenylpropan-2-yl] ester hydrochloride
OPENEYE Name: [1-benzyl-2-(diethylamino)ethyl] N-phenylcarbamate hydrochloride
IUPAC Name: [1-(diethylamino)-3-phenylpropan-2-yl] N-phenylcarbamate hydrochloride
SYSTEMATIC NAME: [1-(diethylamino)-3-phenyl-propan-2-yl] N-phenylcarbamate hydrochloride
MOLECULAR FORMULA: C20H27ClN2O2
MOLECULAR WEIGHT: 362.89358
SMILES: CCN(CC)CC(CC1=CC=CC=C1)OC(=O)NC2=CC=CC=C2.Cl
Structure:
CAS RN: 7356-60-7
CAS Name: 3-pyridinecarboximidamide
OPENEYE Name: pyridine-3-carboxamidine
IUPAC Name: pyridine-3-carboximidamide
SYSTEMATIC NAME: pyridine-3-carboximidamide
MOLECULAR FORMULA: C6H7N3
MOLECULAR WEIGHT: 121.13988
SMILES: C1=CC(=CN=C1)C(=N)N
Structure:
CAS RN: 23255-20-1
CAS Name: 3-pyridinecarboximidamide
OPENEYE Name: pyridine-3-carboxamidine
IUPAC Name: pyridine-3-carboximidamide
SYSTEMATIC NAME: pyridine-3-carboximidamide
MOLECULAR FORMULA: C6H7N3
MOLECULAR WEIGHT: 121.13988
SMILES: C1=CC(=CN=C1)C(=N)N
Structure:
CAS RN: 7356-60-7
CAS Name: 3-pyridinecarboximidamide hydrochloride
OPENEYE Name: pyridine-3-carboxamidine hydrochloride
IUPAC Name: pyridine-3-carboximidamide hydrochloride
SYSTEMATIC NAME: pyridine-3-carboximidamide hydrochloride
MOLECULAR FORMULA: C6H8ClN3
MOLECULAR WEIGHT: 157.60082
SMILES: C1=CC(=CN=C1)C(=N)N.Cl
Structure:
CAS RN: 7351-49-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H17N
MOLECULAR WEIGHT: 223.31288
SMILES: C1CC2=CC=CC=C2C(C3=CC=CC=C31)CN
Structure:
CAS RN: 7350-01-8
CAS Name: 4-methylbenzenesulfonic acid; 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium
OPENEYE Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-methyl-piperidin-1-ium; 4-methylbenzenesulfonic acid
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpiperidin-1-ium; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium
MOLECULAR FORMULA: C29H38NO4S+
MOLECULAR WEIGHT: 496.68132
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+]3(CCCCC3)C
Structure:
CAS RN: 7349-44-2
CAS Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl-ethylamino]ethanol hydrochloride
OPENEYE Name: 2-[(5-chlorobenzothiophen-3-yl)methyl-ethyl-amino]ethanol hydrochloride
IUPAC Name: 2-[(5-chloro-1-benzothiophen-3-yl)methyl-ethylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(5-chloranyl-1-benzothiophen-3-yl)methyl-ethyl-amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H17Cl2NOS
MOLECULAR WEIGHT: 306.25118
SMILES: CCN(CCO)CC1=CSC2=C1C=C(C=C2)Cl.Cl
Structure:
CAS RN: 7349-42-0
CAS Name: 2-[ethyl-[2-[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]ethyl]amino]ethanol
OPENEYE Name: 2-[2-(1-benzyl-5-methoxy-2-methyl-indol-3-yl)ethyl-ethyl-amino]ethanol
IUPAC Name: 2-[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)ethyl-ethylamino]ethanol
SYSTEMATIC NAME: 2-[ethyl-[2-[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]ethyl]amino]ethanol
MOLECULAR FORMULA: C23H30N2O2
MOLECULAR WEIGHT: 366.4965
SMILES: CCN(CCC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=CC=C3)C)CCO
Structure:
CAS RN: 7349-37-3
CAS Name: (1S)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
OPENEYE Name: (1S)-2-(isopropylamino)-1-(4-nitrophenyl)ethanol hydrochloride
IUPAC Name: (1S)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
SYSTEMATIC NAME: (1S)-1-(4-nitrophenyl)-2-(propan-2-ylamino)ethanol hydrochloride
MOLECULAR FORMULA: C11H17ClN2O3
MOLECULAR WEIGHT: 260.71728
SMILES: CC(C)NC[C@H](C1=CC=C(C=C1)[N+](=O)[O-])O.Cl
Structure:
CAS RN: 7348-67-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H40N2
MOLECULAR WEIGHT: 356.5878
SMILES: C[C@H]1[C@H]2CC[C@H]3C2(CCC4=C3CC[C@]5([C@@H]4CC[C@@H](C5)N(C)C)C)CN1C
Structure:
CAS RN: 7347-90-2
CAS Name: 1-ethyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium iodide
OPENEYE Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-ethyl-piperidin-1-ium iodide
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-ethylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-ethyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]piperidin-1-ium iodide
MOLECULAR FORMULA: C23H32INO
MOLECULAR WEIGHT: 465.41075
SMILES: CC[N+]1(CCCCC1)C(C)COC2=CC=CC=C2CC3=CC=CC=C3.[I-]
Structure:
CAS RN: 7347-89-9
CAS Name: 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidin-1-ium iodide
OPENEYE Name: 1-[2-(2-benzylphenoxy)-1-methyl-ethyl]-1-methyl-pyrrolidin-1-ium iodide
IUPAC Name: 1-[1-(2-benzylphenoxy)propan-2-yl]-1-methylpyrrolidin-1-ium iodide
SYSTEMATIC NAME: 1-methyl-1-[1-[2-(phenylmethyl)phenoxy]propan-2-yl]pyrrolidin-1-ium iodide
MOLECULAR FORMULA: C21H28INO
MOLECULAR WEIGHT: 437.35759
SMILES: CC(COC1=CC=CC=C1CC2=CC=CC=C2)[N+]3(CCCC3)C.[I-]
Structure:
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