1-butyl-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 1-butyl-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-butyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-butyl-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-butyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-butyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c1-2-3-14-22-17(18(24)20-15-10-6-4-7-11-15)19(25)23(21-22)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3,(H-,20,21,24,25)