5-chloranyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride

Systemtic Name: 5-chloranyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride Openeye Name: 3-[(1-benzyl-4-piperidyl)sulfanyl]-5-chloro-1H-indole hydrochloride CAS Name: 5-chloro-3-[[1-(phenylmethyl)-4-piperidinyl]thio]-1H-indole hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)sulfanyl-5-chloro-1H-indole hydrochloride Traditional Name: 3-[(1-benzyl-4-piperidyl)thio]-5-chloro-1H-indole hydrochloride Formula: C20H22Cl2N2S MolecularWeight: 393.37308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=CNC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1SC2=CNC3=C2C=C(C=C3)Cl)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C20H21ClN2S.ClH/c21-16-6-7-19-18(12-16)20(13-22-19)24-17-8-10-23(11-9-17)14-15-4-2-1-3-5-15;/h1-7,12-13,17,22H,8-11,14H2;1H