3-[3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-oxidanylidene-imidazolidin-1-yl]benzenecarbonitrile Openeye Name: 3-[3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-oxo-imidazolidin-1-yl]benzonitrile CAS Name: 3-[3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-oxo-1-imidazolidinyl]benzonitrile IUPAC Name: 3-[3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-2-oxoimidazolidin-1-yl]benzonitrile Traditional Name: 3-[2-keto-3-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]imidazolidin-1-yl]benzonitrile Formula: C15H16N5O+ MolecularWeight: 282.32044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CN2CCN(C2=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C([NH+]=CN1)CN2CCN(C2=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C15H15N5O/c1-11-14(18-10-17-11)9-19-5-6-20(15(19)21)13-4-2-3-12(7-13)8-16/h2-4,7,10H,5-6,9H2,1H3,(H,17,18)/p+1