methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride

Systemtic Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride Openeye Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride CAS Name: 3-[(2,8-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid methyl ester chloride IUPAC Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate chloride Traditional Name: 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid methyl ester chloride Formula: C19H19ClN2O2 MolecularWeight: 342.81936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1[NH+]=C(C=C2NC3=CC=CC(=C3)C(=O)OC)C.[Cl-]

Isomeric SMILES

CC1=CC=CC2=C1[NH+]=C(C=C2NC3=CC=CC(=C3)C(=O)OC)C.[Cl-]

InChI

InChI=1S/C19H18N2O2.ClH/c1-12-6-4-9-16-17(10-13(2)20-18(12)16)21-15-8-5-7-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H