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

Systemtic Name: N-(2-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide CAS Name: N-[2-(methylthio)phenyl]-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(methylthio)phenyl]propionamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2OS/c1-26-21-10-6-5-9-20(21)23-22(25)13-16-24-14-11-19(12-15-24)17-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3,(H,23,25)/p+1