ethyl 2-methyl-4-[(3-propoxycarbonylphenyl)amino]quinolin-1-ium-6-carboxylate

Systemtic Name: ethyl 2-methyl-4-[(3-propoxycarbonylphenyl)amino]quinolin-1-ium-6-carboxylate Openeye Name: ethyl 2-methyl-4-(3-propoxycarbonylanilino)quinolin-1-ium-6-carboxylate CAS Name: 2-methyl-4-[3-[oxo(propoxy)methyl]anilino]-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-(3-propoxycarbonylanilino)quinolin-1-ium-6-carboxylate Traditional Name: 2-methyl-4-(3-propoxycarbonylanilino)quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O4/c1-4-11-29-23(27)16-7-6-8-18(13-16)25-21-12-15(3)24-20-10-9-17(14-19(20)21)22(26)28-5-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,24,25)/p+1