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

Systemtic Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] benzoate hydrochloride Openeye Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] benzoate hydrochloride CAS Name: benzoic 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] benzoate hydrochloride Traditional Name: benzoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] ester hydrochloride Formula: C29H32ClNO3 MolecularWeight: 478.02228

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CN1[C@@H](CCC[C@@H]1CC(=O)C2=CC=CC=C2)C[C@@H](C3=CC=CC=C3)OC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C29H31NO3.ClH/c1-30-25(20-27(31)22-12-5-2-6-13-22)18-11-19-26(30)21-28(23-14-7-3-8-15-23)33-29(32)24-16-9-4-10-17-24;/h2-10,12-17,25-26,28H,11,18-21H2,1H3;1H/t25-,26+,28+;/m1./s1