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

Systemtic Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[3-(methylthio)propyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[3-(methylthio)propyl]piperidin-1-ium-3-carboxamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CCCSC

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-27-22-8-3-6-19(16-22)18-9-11-21(12-10-18)24-23(26)20-7-4-13-25(17-20)14-5-15-28-2/h3,6,8-12,16,20H,4-5,7,13-15,17H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1