3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-octyl-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-octyl-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-octyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-octyl-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-octyltriazol-1-ium-4-olate Traditional Name: 1-octyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=NN(C(=C1C(=O)NC2=CC=C(C=C2)C)[O-])C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC[N+]1=NN(C(=C1C(=O)NC2=CC=C(C=C2)C)[O-])C3=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)