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

Systemtic Name: ethyl 4-[(4-hexoxyphenyl)amino]-2-methyl-quinolin-1-ium-6-carboxylate Openeye Name: ethyl 4-(4-hexoxyanilino)-2-methyl-quinolin-1-ium-6-carboxylate CAS Name: 4-(4-hexoxyanilino)-2-methyl-6-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-hexoxyanilino)-2-methylquinolin-1-ium-6-carboxylate Traditional Name: 4-(4-hexoxyanilino)-2-methyl-quinolin-1-ium-6-carboxylic acid ethyl ester Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=CC(=[NH+]C3=C2C=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C25H30N2O3/c1-4-6-7-8-15-30-21-12-10-20(11-13-21)27-24-16-18(3)26-23-14-9-19(17-22(23)24)25(28)29-5-2/h9-14,16-17H,4-8,15H2,1-3H3,(H,26,27)/p+1