2-[1-[(diphenylmethyl)carbamoyl]-1,2,4-triazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[(diphenylmethyl)carbamoyl]-1,2,4-triazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(benzhydrylcarbamoyl)-1,2,4-triazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-[[(diphenylmethyl)amino]-oxomethyl]-1,2,4-triazol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(benzhydrylcarbamoyl)-1,2,4-triazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(benzhydrylcarbamoyl)-1,2,4-triazol-1-ium-1-yl]acetic acid Formula: C18H17N4O3+ MolecularWeight: 337.35258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)[N+]3(C=NC=N3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=O)[N+]3(C=NC=N3)CC(=O)O

InChI

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