N-(2-methylsulfanylethyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide

Systemtic Name: N-(2-methylsulfanylethyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Openeye Name: N-(2-methylsulfanylethyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide CAS Name: N-[2-(methylthio)ethyl]-3-[(1-phenethyl-4-piperidin-1-iumyl)oxy]benzamide IUPAC Name: N-(2-methylsulfanylethyl)-3-(1-phenethylpiperidin-1-ium-4-yl)oxybenzamide Traditional Name: N-[2-(methylthio)ethyl]-3-(1-phenethylpiperidin-1-ium-4-yl)oxy-benzamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCCNC(=O)C1=CC(=CC=C1)OC2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O2S/c1-28-17-13-24-23(26)20-8-5-9-22(18-20)27-21-11-15-25(16-12-21)14-10-19-6-3-2-4-7-19/h2-9,18,21H,10-17H2,1H3,(H,24,26)/p+1