(phenylmethyl) 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride

Systemtic Name: (phenylmethyl) 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride Openeye Name: benzyl 4-[4-(1-piperidylmethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride CAS Name: 4-[[4-(1-piperidinylmethyl)phenyl]thio]-1-piperidinecarboxylic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-[4-(piperidin-1-ylmethyl)phenyl]sulfanylpiperidine-1-carboxylate hydrochloride Traditional Name: 4-[[4-(piperidinomethyl)phenyl]thio]piperidine-1-carboxylic acid benzyl ester hydrochloride Formula: C25H33ClN2O2S MolecularWeight: 461.05972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)SC3CCN(CC3)C(=O)OCC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)SC3CCN(CC3)C(=O)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C25H32N2O2S.ClH/c28-25(29-20-22-7-3-1-4-8-22)27-17-13-24(14-18-27)30-23-11-9-21(10-12-23)19-26-15-5-2-6-16-26;/h1,3-4,7-12,24H,2,5-6,13-20H2;1H