methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate CAS Name: 3-[(2,8-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 3-[(2,8-dimethylquinolin-1-ium-4-yl)amino]benzoic acid methyl ester Formula: C19H19N2O2+ MolecularWeight: 307.36636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O2/c1-12-6-4-9-16-17(10-13(2)20-18(12)16)21-15-8-5-7-14(11-15)19(22)23-3/h4-11H,1-3H3,(H,20,21)/p+1