4-[[5-(hydroxymethyl)-3-methyl-imidazol-3-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-(hydroxymethyl)-3-methyl-imidazol-3-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-(hydroxymethyl)-3-methyl-imidazol-3-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[5-(hydroxymethyl)-3-methyl-1-imidazol-3-iumyl]methyl]benzonitrile IUPAC Name: 4-[[5-(hydroxymethyl)-3-methylimidazol-3-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[(3-methyl-5-methylol-imidazol-3-ium-1-yl)methyl]benzonitrile Formula: C13H14N3O+ MolecularWeight: 228.26976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N3O/c1-15-8-13(9-17)16(10-15)7-12-4-2-11(6-14)3-5-12/h2-5,8,10,17H,7,9H2,1H3/q+1