[(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] 4-methylbenzoate hydrochloride

Systemtic Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] 4-methylbenzoate hydrochloride Openeye Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] 4-methylbenzoate hydrochloride CAS Name: 4-methylbenzoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidinyl]-1-phenylethyl] ester hydrochloride IUPAC Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] 4-methylbenzoate hydrochloride Traditional Name: 4-methylbenzoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] ester hydrochloride Formula: C30H34ClNO3 MolecularWeight: 492.04886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(CC2CCCC(N2C)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H](C[C@@H]2CCC[C@@H](N2C)CC(=O)C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C30H33NO3.ClH/c1-22-16-18-25(19-17-22)30(33)34-29(24-12-7-4-8-13-24)21-27-15-9-14-26(31(27)2)20-28(32)23-10-5-3-6-11-23;/h3-8,10-13,16-19,26-27,29H,9,14-15,20-21H2,1-2H3;1H/t26-,27+,29+;/m1./s1