N-(3-methylphenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: 3-[1-[(1S)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: N-(3-methylphenyl)-3-[1-[(2S)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: 3-[1-[(1S)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C19H31N2OS+ MolecularWeight: 335.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C(C)CSC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)[C@@H](C)CSC

InChI

InChI=1S/C19H30N2OS/c1-15-5-4-6-18(13-15)20-19(22)8-7-17-9-11-21(12-10-17)16(2)14-23-3/h4-6,13,16-17H,7-12,14H2,1-3H3,(H,20,22)/p+1/t16-/m0/s1