CAS RN: 55077-26-4
CAS Name: 2-(2-acetyloxy-1-oxopropoxy)ethyl-trimethylammonium; benzenesulfonate
OPENEYE Name: 2-(2-acetoxypropanoyloxy)ethyl-trimethyl-ammonium; benzenesulfonate
IUPAC Name: 2-(2-acetyloxypropanoyloxy)ethyl-trimethylazanium; benzenesulfonate
SYSTEMATIC NAME: 2-(2-acetyloxypropanoyloxy)ethyl-trimethyl-azanium; benzenesulfonate
MOLECULAR FORMULA: C16H25NO7S
MOLECULAR WEIGHT: 375.4372
SMILES: CC(C(=O)OCC[N+](C)(C)C)OC(=O)C.C1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 55074-84-5
CAS Name: 1-(3-oxanyl)piperidine
OPENEYE Name: 1-tetrahydropyran-3-ylpiperidine
IUPAC Name: 1-(oxan-3-yl)piperidine
SYSTEMATIC NAME: 1-(oxan-3-yl)piperidine
MOLECULAR FORMULA: C10H19NO
MOLECULAR WEIGHT: 169.26396
SMILES: C1CCN(CC1)C2CCCOC2
Structure:
CAS RN: 55074-83-4
CAS Name: N,N-dimethyl-3-oxanamine
OPENEYE Name: N,N-dimethyltetrahydropyran-3-amine
IUPAC Name: N,N-dimethyloxan-3-amine
SYSTEMATIC NAME: N,N-dimethyloxan-3-amine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CN(C)C1CCCOC1
Structure:
CAS RN: 55074-76-5
CAS Name: 3-(dimethylamino)-2-oxanol
OPENEYE Name: 3-(dimethylamino)tetrahydropyran-2-ol
IUPAC Name: 3-(dimethylamino)oxan-2-ol
SYSTEMATIC NAME: 3-(dimethylamino)oxan-2-ol
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CN(C)C1CCCOC1O
Structure:
CAS RN: 55055-25-9
CAS Name: thiocyanic acid (4,6-dimethyl-2-pyrimidinyl) ester
OPENEYE Name: (4,6-dimethylpyrimidin-2-yl) thiocyanate
IUPAC Name: (4,6-dimethylpyrimidin-2-yl) thiocyanate
SYSTEMATIC NAME: (4,6-dimethylpyrimidin-2-yl) thiocyanate
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: CC1=CC(=NC(=N1)SC#N)C
Structure:
CAS RN: 55053-78-6
CAS Name: 1-[2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]ethylamino]-3-(3-methoxyphenoxy)-2-propanol dihydrochloride
OPENEYE Name: 1-[2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]ethylamino]-3-(3-methoxyphenoxy)propan-2-ol dihydrochloride
IUPAC Name: 1-[2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]ethylamino]-3-(3-methoxyphenoxy)propan-2-ol dihydrochloride
SYSTEMATIC NAME: 1-(3-methoxyphenoxy)-3-[2-[[3-(3-methoxyphenoxy)-2-oxidanyl-propyl]amino]ethylamino]propan-2-ol dihydrochloride
MOLECULAR FORMULA: C22H34Cl2N2O6
MOLECULAR WEIGHT: 493.42116
SMILES: COC1=CC(=CC=C1)OCC(CNCCNCC(COC2=CC=CC(=C2)OC)O)O.Cl.Cl
Structure:
CAS RN: 55042-55-2
CAS Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(1-phenylpropan-2-yl)methanimine
OPENEYE Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(1-methyl-2-phenyl-ethyl)methanimine
IUPAC Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(1-phenylpropan-2-yl)methanimine
SYSTEMATIC NAME: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(1-phenylpropan-2-yl)methanimine
MOLECULAR FORMULA: C24H24N2
MOLECULAR WEIGHT: 340.46076
SMILES: CC1=C2C(=C(C(=C1)C=NC(C)CC3=CC=CC=C3)C)C4=CC=CC=C4N2
Structure:
CAS RN: 55042-54-1
CAS Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-[2-(4-morpholinyl)ethyl]methanimine
OPENEYE Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(2-morpholinoethyl)methanimine
IUPAC Name: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(2-morpholin-4-ylethyl)methanimine
SYSTEMATIC NAME: 1-(1,4-dimethyl-9H-carbazol-3-yl)-N-(2-morpholin-4-ylethyl)methanimine
MOLECULAR FORMULA: C21H25N3O
MOLECULAR WEIGHT: 335.4427
SMILES: CC1=C2C(=C(C(=C1)C=NCCN3CCOCC3)C)C4=CC=CC=C4N2
Structure:
CAS RN: 55042-51-8
CAS Name: (5-methoxy-1H-indol-3-yl)-(3-pyridinyl)methanol
OPENEYE Name: (5-methoxy-1H-indol-3-yl)-(3-pyridyl)methanol
IUPAC Name: (5-methoxy-1H-indol-3-yl)-pyridin-3-ylmethanol
SYSTEMATIC NAME: (5-methoxy-1H-indol-3-yl)-pyridin-3-yl-methanol
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 254.28386
SMILES: COC1=CC2=C(C=C1)NC=C2C(C3=CN=CC=C3)O
Structure:
CAS RN: 55042-50-7
CAS Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
OPENEYE Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
IUPAC Name: (2R,3R)-2,3-dihydroxybutanedioic acid; 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 5,11-dimethyl-6H-pyrido[4,3-b]carbazole
MOLECULAR FORMULA: C21H20N2O6
MOLECULAR WEIGHT: 396.3933
SMILES: CC1=C2C(=C(C3=C1C=CN=C3)C)C4=CC=CC=C4N2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 55038-75-0
CAS Name: methanesulfonic acid; 1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
OPENEYE Name: 1-(3-isopropyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine; methanesulfonic acid
IUPAC Name: methanesulfonic acid; 1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
SYSTEMATIC NAME: methanesulfonic acid; 1-methyl-4-(3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
MOLECULAR FORMULA: C24H36N2O6S3
MOLECULAR WEIGHT: 544.74744
SMILES: CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 55037-96-2
CAS Name: 1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
OPENEYE Name: 1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
IUPAC Name: 1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
SYSTEMATIC NAME: 1-methylsulfonyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperazine
MOLECULAR FORMULA: C17H26N2O2S
MOLECULAR WEIGHT: 322.46554
SMILES: CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(CCCCC3)C=C2
Structure:
CAS RN: 55025-15-5
CAS Name: 2-chloro-11-[2-(1-pyrrolidinyl)ethyl]-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine hydrochloride
OPENEYE Name: 2-chloro-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine hydrochloride
IUPAC Name: 2-chloro-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-11-(2-pyrrolidin-1-ylethyl)-6,7,8,9,10,10a-hexahydro-5aH-cyclohepta[b][1,4]benzothiazine hydrochloride
MOLECULAR FORMULA: C19H28Cl2N2S
MOLECULAR WEIGHT: 387.41002
SMILES: C1CCC2C(CC1)SC3=C(N2CCN4CCCC4)C=C(C=C3)Cl.Cl
Structure:
CAS RN: 55023-79-5
CAS Name: 2-[4-(1-piperidinyl)phenyl]ethanol
OPENEYE Name: 2-[4-(1-piperidyl)phenyl]ethanol
IUPAC Name: 2-(4-piperidin-1-ylphenyl)ethanol
SYSTEMATIC NAME: 2-(4-piperidin-1-ylphenyl)ethanol
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C1CCN(CC1)C2=CC=C(C=C2)CCO
Structure:
CAS RN: 55011-97-7
CAS Name: 1-(3-chlorophenoxy)-3-[2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]ethylamino]-2-propanol; methanesulfonic acid
OPENEYE Name: 1-(3-chlorophenoxy)-3-[2-[[3-(3-chlorophenoxy)-2-hydroxy-propyl]amino]ethylamino]propan-2-ol; methanesulfonic acid
IUPAC Name: 1-(3-chlorophenoxy)-3-[2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]ethylamino]propan-2-ol; methanesulfonic acid
SYSTEMATIC NAME: 1-(3-chloranylphenoxy)-3-[2-[[3-(3-chloranylphenoxy)-2-oxidanyl-propyl]amino]ethylamino]propan-2-ol; methanesulfonic acid
MOLECULAR FORMULA: C22H34Cl2N2O10S2
MOLECULAR WEIGHT: 621.54876
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC(=C1)Cl)OCC(CNCCNCC(COC2=CC(=CC=C2)Cl)O)O
Structure:
CAS RN: 54999-27-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21ClN2
MOLECULAR WEIGHT: 276.80434
SMILES: CC1=CC2=C(C=C1)N3CCNC4C3=C2CCCC4.Cl
Structure:
CAS RN: 54998-55-9
CAS Name: 6-acetamido-N-[2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-3-pyridinecarboxamide trihydrochloride
OPENEYE Name: 6-acetamido-N-[2-[4-(2-pyridyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide trihydrochloride
IUPAC Name: 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide trihydrochloride
SYSTEMATIC NAME: 6-acetamido-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridine-3-carboxamide trihydrochloride
MOLECULAR FORMULA: C19H27Cl3N6O2
MOLECULAR WEIGHT: 477.81568
SMILES: CC(=O)NC1=NC=C(C=C1)C(=O)NCCN2CCN(CC2)C3=CC=CC=N3.Cl.Cl.Cl
Structure:
CAS RN: 54998-52-6
CAS Name: 4-amino-N-[2-[4-(6-methyl-2-pyridinyl)-1-piperazinyl]ethyl]benzamide
OPENEYE Name: 4-amino-N-[2-[4-(6-methyl-2-pyridyl)piperazin-1-yl]ethyl]benzamide
IUPAC Name: 4-amino-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide
SYSTEMATIC NAME: 4-azanyl-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide
MOLECULAR FORMULA: C19H25N5O
MOLECULAR WEIGHT: 339.4347
SMILES: CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N
Structure:
CAS RN: 54997-77-2
CAS Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-1-propanol; methanesulfonic acid
OPENEYE Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; methanesulfonic acid
IUPAC Name: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; methanesulfonic acid
SYSTEMATIC NAME: 3-[4-(3-cyclopentyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; methanesulfonic acid
MOLECULAR FORMULA: C28H42N2O7S3
MOLECULAR WEIGHT: 614.83728
SMILES: CS(=O)(=O)O.CS(=O)(=O)O.C1CCC(C1)C2=CC3=C(C=C2)SC4=CC=CC=C4CC3N5CCN(CC5)CCCO
Structure:
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