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

Systemtic Name: 3-(phenylmethyl)-7-(2-piperidin-4-ylethylsulfinyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Openeye Name: 3-benzyl-7-[2-(4-piperidyl)ethylsulfinyl]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride CAS Name: 3-(phenylmethyl)-7-[2-(4-piperidinyl)ethylsulfinyl]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride IUPAC Name: 3-benzyl-7-(2-piperidin-4-ylethylsulfinyl)-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Traditional Name: 3-benzyl-7-[2-(4-piperidyl)ethylsulfinyl]-1,2,4,5-tetrahydro-3-benzazepine hydrochloride Formula: C24H33ClN2OS MolecularWeight: 433.04962

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCS(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl

Isomeric SMILES

C1CNCCC1CCS(=O)C2=CC3=C(CCN(CC3)CC4=CC=CC=C4)C=C2.Cl

InChI

InChI=1S/C24H32N2OS.ClH/c27-28(17-12-20-8-13-25-14-9-20)24-7-6-22-10-15-26(16-11-23(22)18-24)19-21-4-2-1-3-5-21;/h1-7,18,20,25H,8-17,19H2;1H