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2-[3-(4-ethanoylphenyl)imidazol-1-ium-1-yl]ethanenitrile

2-[3-(4-ethanoylphenyl)imidazol-1-ium-1-yl]ethanenitrile

Systemtic Name:2-[3-(4-ethanoylphenyl)imidazol-1-ium-1-yl]ethanenitrile
Openeye Name:2-[3-(4-acetylphenyl)imidazol-1-ium-1-yl]acetonitrile
CAS Name:2-[3-(4-acetylphenyl)-1-imidazol-1-iumyl]acetonitrile
IUPAC Name:2-[3-(4-acetylphenyl)imidazol-1-ium-1-yl]acetonitrile
Traditional Name:2-[3-(4-acetylphenyl)imidazol-1-ium-1-yl]acetonitrile
Formula: C13H12N3O+
MolecularWeight: 226.25388
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)CC#N


Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)CC#N


InChI

InChI=1S/C13H12N3O/c1-11(17)12-2-4-13(5-3-12)16-9-8-15(10-16)7-6-14/h2-5,8-10H,7H2,1H3/q+1


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