N-(2-chlorophenyl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2-chlorophenyl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2-chlorophenyl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2-chlorophenyl)-3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-chlorophenyl)-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2-chlorophenyl)-3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C22H28ClN2OS+ MolecularWeight: 403.98852

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C22H27ClN2OS/c1-27-19-6-4-5-18(15-19)16-25-13-11-17(12-14-25)9-10-22(26)24-21-8-3-2-7-20(21)23/h2-8,15,17H,9-14,16H2,1H3,(H,24,26)/p+1