4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid chloride

Systemtic Name: 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 4-[(2,8-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid chloride Formula: C18H17ClN2O2 MolecularWeight: 328.79278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O2.ClH/c1-11-4-3-5-15-16(10-12(2)19-17(11)15)20-14-8-6-13(7-9-14)18(21)22;/h3-10H,1-2H3,(H,19,20)(H,21,22);1H