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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)C4CCSCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=CC=C2)NC(=O)C3CC[NH+](CC3)C4CCSCC4

InChI

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