4-[(8-bromanyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride

Systemtic Name: 4-[(8-bromanyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 4-[(8-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 4-[(8-bromo-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 4-[(8-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Formula: C17H14BrClN2O2 MolecularWeight: 393.66226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2Br)C(=C1)NC3=CC=C(C=C3)C(=O)O.[Cl-]

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2Br)C(=C1)NC3=CC=C(C=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C17H13BrN2O2.ClH/c1-10-9-15(13-3-2-4-14(18)16(13)19-10)20-12-7-5-11(6-8-12)17(21)22;/h2-9H,1H3,(H,19,20)(H,21,22);1H