ethyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate

Systemtic Name: ethyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate Openeye Name: ethyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate CAS Name: 3-[(2,6,8-trimethyl-4-quinolin-1-iumyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoate Traditional Name: 3-[(2,6,8-trimethylquinolin-1-ium-4-yl)amino]benzoic acid ethyl ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C(C=C(C=C23)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=CC(=[NH+]C3=C(C=C(C=C23)C)C)C

InChI

InChI=1S/C21H22N2O2/c1-5-25-21(24)16-7-6-8-17(12-16)23-19-11-15(4)22-20-14(3)9-13(2)10-18(19)20/h6-12H,5H2,1-4H3,(H,22,23)/p+1