[2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-phenyl-methanone

Systemtic Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-phenyl-methanone Openeye Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-phenyl-methanone CAS Name: [2-[(4,6-dimethyl-2-pyrimidinyl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-phenylmethanone IUPAC Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-4,5-dihydro-1H-imidazol-3-ium-3-yl]-phenylmethanone Traditional Name: [2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-imidazolin-1-ium-1-yl]-phenyl-methanone Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=[N+](CCN2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=[N+](CCN2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C16H17N5O/c1-11-10-12(2)19-15(18-11)20-16-17-8-9-21(16)14(22)13-6-4-3-5-7-13/h3-7,10H,8-9H2,1-2H3,(H,17,18,19,20)/p+1