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

Systemtic Name: 1-(4-acetyloxybutyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(4-acetoxybutyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 1-(4-acetyloxybutyl)-5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(4-acetyloxybutyl)-3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(4-acetoxybutyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C23H26N4O4 MolecularWeight: 422.47694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCCCOC(=O)C)C3=CC=C(C=C3)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CCCCOC(=O)C)C3=CC=C(C=C3)C)[O-]

InChI

InChI=1S/C23H26N4O4/c1-16-6-10-19(11-7-16)24-22(29)21-23(30)27(20-12-8-17(2)9-13-20)25-26(21)14-4-5-15-31-18(3)28/h6-13H,4-5,14-15H2,1-3H3,(H-,24,25,29,30)