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

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(4-thianyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)C4CCSCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)C4CCSCC4

InChI

InChI=1S/C24H30N2O2S/c1-28-21-10-8-18(9-11-21)22-6-2-3-7-23(22)25-24(27)19-5-4-14-26(17-19)20-12-15-29-16-13-20/h2-3,6-11,19-20H,4-5,12-17H2,1H3,(H,25,27)/p+1/t19-/m0/s1