(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-thienylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-thiophenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(3-thenyl)piperidin-1-ium-3-carboxamide Formula: C24H27N2O2S+ MolecularWeight: 407.54838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=CSC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=CSC=C4

InChI

InChI=1S/C24H26N2O2S/c1-28-21-10-8-19(9-11-21)22-6-2-3-7-23(22)25-24(27)20-5-4-13-26(16-20)15-18-12-14-29-17-18/h2-3,6-12,14,17,20H,4-5,13,15-16H2,1H3,(H,25,27)/p+1/t20-/m0/s1