4-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid

Systemtic Name: 4-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid Openeye Name: 4-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid CAS Name: 4-[(2,6-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid IUPAC Name: 4-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid Traditional Name: 4-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid Formula: C18H17N2O2+ MolecularWeight: 293.33978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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