ethyl 4-(phenethylamino)-6-phenoxy-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(phenethylamino)-6-phenoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(phenethylamino)-6-phenoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-(phenethylamino)-6-phenoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(phenethylamino)-6-phenoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-(phenethylamino)-6-phenoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C26H25N2O3+ MolecularWeight: 413.4883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3/c1-2-30-26(29)23-18-28-24-14-13-21(31-20-11-7-4-8-12-20)17-22(24)25(23)27-16-15-19-9-5-3-6-10-19/h3-14,17-18H,2,15-16H2,1H3,(H,27,28)/p+1