3-butyl-N,1-bis(3-methoxyphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: 3-butyl-N,1-bis(3-methoxyphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-butyl-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: 3-butyl-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-butyl-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-butyl-5-keto-N,1-bis(3-methoxyphenyl)-2H-triazol-3-ium-4-carboxamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(=O)N(N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CCCC[N+]1=C(C(=O)N(N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H24N4O4/c1-4-5-12-24-19(20(26)22-15-8-6-10-17(13-15)28-2)21(27)25(23-24)16-9-7-11-18(14-16)29-3/h6-11,13-14H,4-5,12H2,1-3H3,(H-,22,23,26,27)/p+1