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

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxidanidyl-2-(1,2,4-triazol-1-ylmethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-2-(1,2,4-triazol-1-ylmethyl)quinolin-1-ium-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-2-(1,2,4-triazol-1-ylmethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-2-(1,2,4-triazol-1-ylmethyl)quinolin-1-ium-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-oxido-2-(1,2,4-triazol-1-ylmethyl)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C25H26N4O7 MolecularWeight: 494.49654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CN3C=NC=N3)[O-])OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[N+](=C1CN3C=NC=N3)[O-])OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H26N4O7/c1-6-36-25(30)24-18(12-28-14-26-13-27-28)29(31)17-11-22(35-5)21(34-4)10-16(17)23(24)15-7-8-19(32-2)20(9-15)33-3/h7-11,13-14H,6,12H2,1-5H3