[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] cyanate

Systemtic Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] cyanate Openeye Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] cyanate CAS Name: cyanic acid [4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl] ester IUPAC Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] cyanate Traditional Name: cyanic acid [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] ester Formula: C12H12N3O+ MolecularWeight: 214.24318

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)OC#N

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=C(C=C2)OC#N

InChI

InChI=1S/C12H12N3O/c1-14-6-7-15(10-14)8-11-2-4-12(5-3-11)16-9-13/h2-7,10H,8H2,1H3/q+1