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

Systemtic Name: 2-[(8-chloranyl-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Openeye Name: 2-[(8-chloro-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid CAS Name: 2-[(8-chloro-2-methyl-4-quinolin-1-iumyl)amino]benzoic acid IUPAC Name: 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]benzoic acid Traditional Name: 2-[(8-chloro-2-methyl-quinolin-1-ium-4-yl)amino]benzoic acid Formula: C17H14ClN2O2+ MolecularWeight: 313.75826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=CC=C2Cl)C(=C1)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=[NH+]C2=C(C=CC=C2Cl)C(=C1)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H13ClN2O2/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