methyl (3S,4S)-1-methyl-4-(4-thiophen-2-ylphenyl)piperidine-3-carboxylate

Systemtic Name: methyl (3S,4S)-1-methyl-4-(4-thiophen-2-ylphenyl)piperidine-3-carboxylate Openeye Name: methyl (3S,4S)-1-methyl-4-[4-(2-thienyl)phenyl]piperidine-3-carboxylate CAS Name: (3S,4S)-1-methyl-4-(4-thiophen-2-ylphenyl)-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4S)-1-methyl-4-(4-thiophen-2-ylphenyl)piperidine-3-carboxylate Traditional Name: (3S,4S)-1-methyl-4-[4-(2-thienyl)phenyl]nipecotic acid methyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)C3=CC=CS3

Isomeric SMILES

CN1CC[C@@H]([C@@H](C1)C(=O)OC)C2=CC=C(C=C2)C3=CC=CS3

InChI

InChI=1S/C18H21NO2S/c1-19-10-9-15(16(12-19)18(20)21-2)13-5-7-14(8-6-13)17-4-3-11-22-17/h3-8,11,15-16H,9-10,12H2,1-2H3/t15-,16-/m1/s1