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

Systemtic Name: 1-(4-acetyloxybutyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(4-acetoxybutyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 1-(4-acetyloxybutyl)-5-[anilino(oxo)methyl]-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(4-acetyloxybutyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-(4-acetoxybutyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-16(26)29-15-9-8-14-24-19(20(27)22-17-10-4-2-5-11-17)21(28)25(23-24)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3,(H-,22,23,27,28)