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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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