ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanidyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-quinolin-1-ium-3-carboxylate CAS Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidoquinolin-1-ium-3-carboxylate Traditional Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H24ClNO7 MolecularWeight: 461.89216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CCl)[O-])OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CCl)[O-])OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H24ClNO7/c1-6-32-23(26)22-16(12-24)25(27)15-11-20(31-5)19(30-4)10-14(15)21(22)13-7-8-17(28-2)18(9-13)29-3/h7-11H,6,12H2,1-5H3