1-(1-methylquinolin-1-ium-4-yl)sulfanylpropan-2-one chloride

Systemtic Name: 1-(1-methylquinolin-1-ium-4-yl)sulfanylpropan-2-one chloride Openeye Name: 1-(1-methylquinolin-1-ium-4-yl)sulfanylpropan-2-one chloride CAS Name: 1-[(1-methyl-4-quinolin-1-iumyl)thio]-2-propanone chloride IUPAC Name: 1-(1-methylquinolin-1-ium-4-yl)sulfanylpropan-2-one chloride Traditional Name: 1-[(1-methylquinolin-1-ium-4-yl)thio]acetone chloride Formula: C13H14ClNOS MolecularWeight: 267.77436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=[N+](C2=CC=CC=C21)C.[Cl-]

Isomeric SMILES

CC(=O)CSC1=CC=[N+](C2=CC=CC=C21)C.[Cl-]

InChI

InChI=1S/C13H14NOS.ClH/c1-10(15)9-16-13-7-8-14(2)12-6-4-3-5-11(12)13;/h3-8H,9H2,1-2H3;1H/q+1;/p-1