3-(phenylmethyl)-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride

Systemtic Name: 3-(phenylmethyl)-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Openeye Name: 3-benzyl-7-[2-(4-piperidyl)ethylsulfanyl]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride CAS Name: 3-(phenylmethyl)-7-[2-(4-piperidinyl)ethylthio]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride IUPAC Name: 3-benzyl-7-(2-piperidin-4-ylethylsulfanyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Traditional Name: 3-benzyl-7-[2-(4-piperidyl)ethylthio]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Formula: C24H33ClN2S MolecularWeight: 417.05022

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl

Isomeric SMILES

C1CNCCC1CCSC2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl

InChI

InChI=1S/C24H32N2S.ClH/c1-2-4-21(5-3-1)19-26-15-10-22-6-7-24(18-23(22)11-16-26)27-17-12-20-8-13-25-14-9-20;/h1-7,18,20,25H,8-17,19H2;1H