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

Systemtic Name: N-cyclopropyl-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-cyclopropyl-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-cyclopropyl-3-[1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-cyclopropyl-3-[1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-cyclopropyl-3-[1-[3-(methylthio)benzyl]piperidin-1-ium-4-yl]propionamide Formula: C19H29N2OS+ MolecularWeight: 333.51136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC(CC2)CCC(=O)NC3CC3

InChI

InChI=1S/C19H28N2OS/c1-23-18-4-2-3-16(13-18)14-21-11-9-15(10-12-21)5-8-19(22)20-17-6-7-17/h2-4,13,15,17H,5-12,14H2,1H3,(H,20,22)/p+1