methyl (3S,4S)-1-methyl-4-(4-thiophen-3-ylphenyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-1-methyl-4-(4-thiophen-3-ylphenyl)piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-methyl-4-[4-(3-thienyl)phenyl]piperidine-3-carboxylate CAS Name: (3S,4S)-1-methyl-4-[4-(3-thiophenyl)phenyl]-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-methyl-4-(4-thiophen-3-ylphenyl)piperidine-3-carboxylate Traditional Name: (3S,4S)-1-methyl-4-[4-(3-thienyl)phenyl]nipecotic acid methyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)C3=CSC=C3

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)C(=O)OC)C2=CC=C(C=C2)C3=CSC=C3

InChI

InChI=1S/C18H21NO2S/c1-19-9-7-16(17(11-19)18(20)21-2)14-5-3-13(4-6-14)15-8-10-22-12-15/h3-6,8,10,12,16-17H,7,9,11H2,1-2H3/t16-,17-/m1/s1