3-ethyl-4-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride

Systemtic Name: 3-ethyl-4-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride Openeye Name: 4-(1-benzyl-4-piperidyl)-3-ethyl-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride CAS Name: 3-ethyl-2-mercapto-4-[1-(phenylmethyl)-4-piperidinyl]-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride IUPAC Name: 4-(1-benzylpiperidin-4-yl)-3-ethyl-2-sulfanyl-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride Traditional Name: 4-(1-benzyl-4-piperidyl)-3-ethyl-2-mercapto-1,3,4,5-tetrahydro-2-benzazepine dihydrochloride Formula: C24H34Cl2N2S MolecularWeight: 453.51116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(CC2=CC=CC=C2CN1S)C3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCC1C(CC2=CC=CC=C2CN1S)C3CCN(CC3)CC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H32N2S.2ClH/c1-2-24-23(16-21-10-6-7-11-22(21)18-26(24)27)20-12-14-25(15-13-20)17-19-8-4-3-5-9-19;;/h3-11,20,23-24,27H,2,12-18H2,1H3;2*1H