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

Systemtic Name: 2-[(8-bromanyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Openeye Name: 2-[(8-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid CAS Name: 2-[(8-bromo-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid IUPAC Name: 2-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]benzoic acid Traditional Name: 2-[(8-bromo-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Formula: C17H14BrN2O2+ MolecularWeight: 358.20926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2Br)C(=C1)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2Br)C(=C1)NC3=CC=CC=C3C(=O)O

InChI

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