2-azanyl-3-(cyclohexylmethylsulfanyl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide hydrochloride

Systemtic Name: 2-azanyl-3-(cyclohexylmethylsulfanyl)-N-[1-(phenylmethyl)piperidin-4-yl]propanamide hydrochloride Openeye Name: 2-amino-N-(1-benzyl-4-piperidyl)-3-(cyclohexylmethylsulfanyl)propanamide hydrochloride CAS Name: 2-amino-3-(cyclohexylmethylthio)-N-[1-(phenylmethyl)-4-piperidinyl]propanamide hydrochloride IUPAC Name: 2-amino-N-(1-benzylpiperidin-4-yl)-3-(cyclohexylmethylsulfanyl)propanamide hydrochloride Traditional Name: 2-amino-N-(1-benzyl-4-piperidyl)-3-(cyclohexylmethylthio)propionamide hydrochloride Formula: C22H36ClN3OS MolecularWeight: 426.05874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSCC(C(=O)NC2CCN(CC2)CC3=CC=CC=C3)N.Cl

Isomeric SMILES

C1CCC(CC1)CSCC(C(=O)NC2CCN(CC2)CC3=CC=CC=C3)N.Cl

InChI

InChI=1S/C22H35N3OS.ClH/c23-21(17-27-16-19-9-5-2-6-10-19)22(26)24-20-11-13-25(14-12-20)15-18-7-3-1-4-8-18;/h1,3-4,7-8,19-21H,2,5-6,9-17,23H2,(H,24,26);1H