2-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-(piperidin-1-ylmethyl)indole hydrochloride

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-(piperidin-1-ylmethyl)indole hydrochloride Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-(1-piperidylmethyl)indole hydrochloride CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-1-methyl-3-(1-piperidinylmethyl)indole hydrochloride IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-1-methyl-3-(piperidin-1-ylmethyl)indole hydrochloride Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-1-methyl-3-(piperidinomethyl)indole hydrochloride Formula: C22H26Cl2N2S MolecularWeight: 421.42624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CSC3=CC=C(C=C3)Cl)CN4CCCCC4.Cl

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CSC3=CC=C(C=C3)Cl)CN4CCCCC4.Cl

InChI

InChI=1S/C22H25ClN2S.ClH/c1-24-21-8-4-3-7-19(21)20(15-25-13-5-2-6-14-25)22(24)16-26-18-11-9-17(23)10-12-18;/h3-4,7-12H,2,5-6,13-16H2,1H3;1H