methyl 4-[(4-butoxycarbonylphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate

Systemtic Name: methyl 4-[(4-butoxycarbonylphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate Openeye Name: methyl 4-(4-butoxycarbonylanilino)-2-methyl-quinolin-1-ium-6-carboxylate CAS Name: 4-[4-[butoxy(oxo)methyl]anilino]-2-methyl-6-quinolin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(4-butoxycarbonylanilino)-2-methylquinolin-1-ium-6-carboxylate Traditional Name: 4-(4-butoxycarbonylanilino)-2-methyl-quinolin-1-ium-6-carboxylic acid methyl ester Formula: C23H25N2O4+ MolecularWeight: 393.4556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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