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

Systemtic Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(oxiran-2-ylmethyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(oxiran-2-ylmethyl)-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[(4-methylanilino)-oxomethyl]-3-(4-methylphenyl)-1-(2-oxiranylmethyl)-4-triazol-1-iumolate IUPAC Name: 3-(4-methylphenyl)-5-[(4-methylphenyl)carbamoyl]-1-(oxiran-2-ylmethyl)triazol-1-ium-4-olate Traditional Name: 1-glycidyl-3-(p-tolyl)-5-(p-tolylcarbamoyl)triazol-1-ium-4-olate Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC3CO3)C4=CC=C(C=C4)C)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(N=[N+]2CC3CO3)C4=CC=C(C=C4)C)[O-]

InChI

InChI=1S/C20H20N4O3/c1-13-3-7-15(8-4-13)21-19(25)18-20(26)24(16-9-5-14(2)6-10-16)22-23(18)11-17-12-27-17/h3-10,17H,11-12H2,1-2H3,(H-,21,22,25,26)