phenyl 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride

Systemtic Name: phenyl 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride Openeye Name: phenyl 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride CAS Name: 4-[[4-(dimethylaminomethyl)phenyl]thio]-1-piperidinecarboxylic acid phenyl ester hydrochloride IUPAC Name: phenyl 4-[4-(dimethylaminomethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride Traditional Name: 4-[[4-(dimethylaminomethyl)phenyl]thio]piperidine-1-carboxylic acid phenyl ester hydrochloride Formula: C21H27ClN2O2S MolecularWeight: 406.96928

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)OC3=CC=CC=C3.Cl

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)SC2CCN(CC2)C(=O)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H26N2O2S.ClH/c1-22(2)16-17-8-10-19(11-9-17)26-20-12-14-23(15-13-20)21(24)25-18-6-4-3-5-7-18;/h3-11,20H,12-16H2,1-2H3;1H