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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC=CC=C3

InChI

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