4-acetamido-N-phenyl-2-(phenylmethyl)-1,2,4-triazol-4-ium-3-carboxamide

Systemtic Name: 4-acetamido-N-phenyl-2-(phenylmethyl)-1,2,4-triazol-4-ium-3-carboxamide Openeye Name: 4-acetamido-2-benzyl-N-phenyl-1,2,4-triazol-4-ium-3-carboxamide CAS Name: 4-acetamido-N-phenyl-2-(phenylmethyl)-1,2,4-triazol-4-ium-3-carboxamide IUPAC Name: 4-acetamido-2-benzyl-N-phenyl-1,2,4-triazol-4-ium-3-carboxamide Traditional Name: 4-acetamido-2-benzyl-N-phenyl-1,2,4-triazol-4-ium-3-carboxamide Formula: C18H18N5O2+ MolecularWeight: 336.36782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1=C(N(N=C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[N+]1=C(N(N=C1)CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2/c1-14(24)21-23-13-19-22(12-15-8-4-2-5-9-15)18(23)17(25)20-16-10-6-3-7-11-16/h2-11,13H,12H2,1H3,(H-,20,21,24,25)/p+1