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

Systemtic Name: N,1-bis(4-methylphenyl)-3-octyl-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-octyl-5-oxo-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide CAS Name: N,1-bis(4-methylphenyl)-3-octyl-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,1-bis(4-methylphenyl)-3-octyl-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 5-keto-3-octyl-N,1-bis(p-tolyl)-2H-triazol-3-ium-4-carboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O2/c1-4-5-6-7-8-9-18-28-23(24(30)26-21-14-10-19(2)11-15-21)25(31)29(27-28)22-16-12-20(3)13-17-22/h10-17H,4-9,18H2,1-3H3,(H-,26,27,30,31)/p+1