ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate CAS Name: 3-[(2,6-dimethyl-4-quinolin-1-iumyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 3-[(2,6-dimethylquinolin-1-ium-4-yl)amino]benzoic acid ethyl ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C)C

InChI

InChI=1S/C20H20N2O2/c1-4-24-20(23)15-6-5-7-16(12-15)22-19-11-14(3)21-18-9-8-13(2)10-17(18)19/h5-12H,4H2,1-3H3,(H,21,22)/p+1