1-methyl-2-[(phenylmethylsulfanyl)methyl]-3-(piperidin-1-ylmethyl)indole hydrochloride

Systemtic Name: 1-methyl-2-[(phenylmethylsulfanyl)methyl]-3-(piperidin-1-ylmethyl)indole hydrochloride Openeye Name: 2-(benzylsulfanylmethyl)-1-methyl-3-(1-piperidylmethyl)indole hydrochloride CAS Name: 1-methyl-2-[(phenylmethylthio)methyl]-3-(1-piperidinylmethyl)indole hydrochloride IUPAC Name: 2-(benzylsulfanylmethyl)-1-methyl-3-(piperidin-1-ylmethyl)indole hydrochloride Traditional Name: 2-[(benzylthio)methyl]-1-methyl-3-(piperidinomethyl)indole hydrochloride Formula: C23H29ClN2S MolecularWeight: 401.00776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CSCC3=CC=CC=C3)CN4CCCCC4.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CSCC3=CC=CC=C3)CN4CCCCC4.Cl

InChI

InChI=1S/C23H28N2S.ClH/c1-24-22-13-7-6-12-20(22)21(16-25-14-8-3-9-15-25)23(24)18-26-17-19-10-4-2-5-11-19;/h2,4-7,10-13H,3,8-9,14-18H2,1H3;1H