4-[(6-bromanyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride

Systemtic Name: 4-[(6-bromanyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Openeye Name: 4-[(6-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride CAS Name: 4-[(6-bromo-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid chloride IUPAC Name: 4-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]benzoic acid chloride Traditional Name: 4-[(6-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid chloride Formula: C17H14BrClN2O2 MolecularWeight: 393.66226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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