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

Systemtic Name: 1-(oxiran-2-ylmethyl)-3-phenyl-5-(phenylcarbamoyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(oxiran-2-ylmethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate CAS Name: 5-[anilino(oxo)methyl]-1-(2-oxiranylmethyl)-3-phenyl-4-triazol-1-iumolate IUPAC Name: 1-(oxiran-2-ylmethyl)-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Traditional Name: 1-glycidyl-3-phenyl-5-(phenylcarbamoyl)triazol-1-ium-4-olate Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(O1)C[N+]2=NN(C(=C2C(=O)NC3=CC=CC=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3/c23-17(19-13-7-3-1-4-8-13)16-18(24)22(14-9-5-2-6-10-14)20-21(16)11-15-12-25-15/h1-10,15H,11-12H2,(H-,19,20,23,24)