4-[[4-(2-azanylethyl)-1H-imidazol-3-ium-3-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-azanylethyl)-1H-imidazol-3-ium-3-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-aminoethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile CAS Name: 4-[[4-(2-aminoethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-aminoethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-aminoethyl)-1H-imidazol-3-ium-3-yl]methyl]benzonitrile Formula: C13H15N4+ MolecularWeight: 227.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C[N+]2=CNC=C2CCN)C#N

Isomeric SMILES

C1=CC(=CC=C1C[N+]2=CNC=C2CCN)C#N

InChI

InChI=1S/C13H14N4/c14-6-5-13-8-16-10-17(13)9-12-3-1-11(7-15)2-4-12/h1-4,8,10H,5-6,9,14H2/p+1