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

Systemtic Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzonitrile CAS Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzonitrile IUPAC Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzonitrile Traditional Name: 3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]benzonitrile Formula: C12H12N3+ MolecularWeight: 198.24378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=[N+](C=CN1)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H11N3/c1-10-14-5-6-15(10)9-12-4-2-3-11(7-12)8-13/h2-7H,9H2,1H3/p+1