N-(4-methylphenyl)-3-quinolin-1-ium-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-methylphenyl)-3-quinolin-1-ium-2-ylsulfanyl-propanamide Openeye Name: N-(p-tolyl)-3-quinolin-1-ium-2-ylsulfanyl-propanamide CAS Name: N-(4-methylphenyl)-3-(2-quinolin-1-iumylthio)propanamide IUPAC Name: N-(4-methylphenyl)-3-quinolin-1-ium-2-ylsulfanylpropanamide Traditional Name: N-(p-tolyl)-3-(quinolin-1-ium-2-ylthio)propionamide Formula: C19H19N2OS+ MolecularWeight: 323.43196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCSC2=[NH+]C3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCSC2=[NH+]C3=CC=CC=C3C=C2

InChI

InChI=1S/C19H18N2OS/c1-14-6-9-16(10-7-14)20-18(22)12-13-23-19-11-8-15-4-2-3-5-17(15)21-19/h2-11H,12-13H2,1H3,(H,20,22)/p+1