2-(4-methylquinolin-1-ium-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(4-methyl-2-quinolin-1-iumyl)thio]-N-phenethylacetamide IUPAC Name: 2-(4-methylquinolin-1-ium-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-methylquinolin-1-ium-2-yl)thio]-N-phenethyl-acetamide Formula: C20H21N2OS+ MolecularWeight: 337.45854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C12)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS/c1-15-13-20(22-18-10-6-5-9-17(15)18)24-14-19(23)21-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,21,23)/p+1