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

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-tetrahydrothiopyran-4-yl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(4-thianyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-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=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)C4CCSCC4

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-28-23-6-2-4-19(16-23)18-7-9-21(10-8-18)25-24(27)20-5-3-13-26(17-20)22-11-14-29-15-12-22/h2,4,6-10,16,20,22H,3,5,11-15,17H2,1H3,(H,25,27)/p+1/t20-/m0/s1