2-(6-chloranyl-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylethanoic acid chloride

Systemtic Name: 2-(6-chloranyl-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylethanoic acid chloride Openeye Name: 2-(6-chloro-2-methyl-4-phenyl-quinolin-1-ium-3-yl)sulfanylacetic acid chloride CAS Name: 2-[(6-chloro-2-methyl-4-phenyl-3-quinolin-1-iumyl)thio]acetic acid chloride IUPAC Name: 2-(6-chloro-2-methyl-4-phenylquinolin-1-ium-3-yl)sulfanylacetic acid chloride Traditional Name: 2-[(6-chloro-2-methyl-4-phenyl-quinolin-1-ium-3-yl)thio]acetic acid chloride Formula: C18H15Cl2NO2S MolecularWeight: 380.2882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=[NH+]1)Cl)C3=CC=CC=C3)SCC(=O)O.[Cl-]

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=[NH+]1)Cl)C3=CC=CC=C3)SCC(=O)O.[Cl-]

InChI

InChI=1S/C18H14ClNO2S.ClH/c1-11-18(23-10-16(21)22)17(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)20-11;/h2-9H,10H2,1H3,(H,21,22);1H