1-chloranyl-2,7-dimethyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-indole hydrochloride

Systemtic Name: 1-chloranyl-2,7-dimethyl-3-[1-(phenylmethyl)piperidin-4-yl]sulfanyl-indole hydrochloride Openeye Name: 3-[(1-benzyl-4-piperidyl)sulfanyl]-1-chloro-2,7-dimethyl-indole hydrochloride CAS Name: 1-chloro-2,7-dimethyl-3-[[1-(phenylmethyl)-4-piperidinyl]thio]indole hydrochloride IUPAC Name: 3-(1-benzylpiperidin-4-yl)sulfanyl-1-chloro-2,7-dimethylindole hydrochloride Traditional Name: 3-[(1-benzyl-4-piperidyl)thio]-1-chloro-2,7-dimethyl-indole hydrochloride Formula: C22H26Cl2N2S MolecularWeight: 421.42624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=C2SC3CCN(CC3)CC4=CC=CC=C4)C)Cl.Cl

Isomeric SMILES

CC1=CC=CC2=C1N(C(=C2SC3CCN(CC3)CC4=CC=CC=C4)C)Cl.Cl

InChI

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