(1E)-N-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanimidate

Systemtic Name: (1E)-N-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanimidate Openeye Name: (1E)-N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)ethanimidate CAS Name: (1E)-N-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]ethanimidate IUPAC Name: (1E)-N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)ethanimidate Traditional Name: (1E)-N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)acetimidate Formula: C11H12N4O MolecularWeight: 216.23918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N+]1=CN(N=C1)CC2=CC=CC=C2)[O-]

Isomeric SMILES

C/C(=N\[N+]1=CN(N=C1)CC2=CC=CC=C2)/[O-]

InChI

InChI=1S/C11H12N4O/c1-10(16)13-15-8-12-14(9-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3