2,5-dimethyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride

Systemtic Name: 2,5-dimethyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-1H-indole hydrochloride Openeye Name: 3-[(1-benzyl-4-piperidyl)sulfanyl]-2,5-dimethyl-1H-indole hydrochloride CAS Name: 2,5-dimethyl-3-[[1-(phenylmethyl)-4-piperidinyl]thio]-1H-indole hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)sulfanyl-2,5-dimethyl-1H-indole hydrochloride Traditional Name: 3-[(1-benzyl-4-piperidyl)thio]-2,5-dimethyl-1H-indole hydrochloride Formula: C22H27ClN2S MolecularWeight: 386.98118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2SC3CCN(CC3)CC4=CC=CC=C4)C.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2SC3CCN(CC3)CC4=CC=CC=C4)C.Cl

InChI

InChI=1S/C22H26N2S.ClH/c1-16-8-9-21-20(14-16)22(17(2)23-21)25-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18;/h3-9,14,19,23H,10-13,15H2,1-2H3;1H