ethyl 2-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[(4-azanyl-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-[(4-amino-1,2,4-triazol-4-ium-1-yl)methyl]-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C25H28N5O6+ MolecularWeight: 494.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3C=[N+](C=N3)N)OC)OC)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CN3C=[N+](C=N3)N)OC)OC)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H28N5O6/c1-6-36-25(31)24-18(12-30-14-29(26)13-27-30)28-17-11-22(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,6,12,26H2,1-5H3/q+1