4-phenyl-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-phenyl-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-phenyl-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-phenyl-N-[[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-phenyl-N-[[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-phenyl-N-[[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]methyl]benzamide Formula: C24H31N2OS+ MolecularWeight: 395.58074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCSCC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCSCC2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H30N2OS/c27-24(22-10-8-21(9-11-22)20-6-2-1-3-7-20)25-17-19-5-4-14-26(18-19)23-12-15-28-16-13-23/h1-3,6-11,19,23H,4-5,12-18H2,(H,25,27)/p+1/t19-/m1/s1