diethyl 3-phenyl-1-(phenylcarbonyl)-2-(phenylmethyl)-1,2,4-triazolidin-1-ium-1,4-dicarboxylate

Systemtic Name: diethyl 3-phenyl-1-(phenylcarbonyl)-2-(phenylmethyl)-1,2,4-triazolidin-1-ium-1,4-dicarboxylate Openeye Name: diethyl 1-benzoyl-2-benzyl-3-phenyl-1,2,4-triazolidin-1-ium-1,4-dicarboxylate CAS Name: 1-benzoyl-3-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-1-ium-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-benzoyl-2-benzyl-3-phenyl-1,2,4-triazolidin-1-ium-1,4-dicarboxylate Traditional Name: 1-benzoyl-2-benzyl-3-phenyl-1,2,4-triazolidin-1-ium-1,4-dicarboxylic acid diethyl ester Formula: C28H30N3O5+ MolecularWeight: 488.5549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C[N+](N(C1C2=CC=CC=C2)CC3=CC=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)N1C[N+](N(C1C2=CC=CC=C2)CC3=CC=CC=C3)(C(=O)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H30N3O5/c1-3-35-27(33)29-21-31(28(34)36-4-2,26(32)24-18-12-7-13-19-24)30(20-22-14-8-5-9-15-22)25(29)23-16-10-6-11-17-23/h5-19,25H,3-4,20-21H2,1-2H3/q+1