1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]-5-ethanoyl-phenyl]ethanone chloride

Systemtic Name: 1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]-5-ethanoyl-phenyl]ethanone chloride Openeye Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone chloride CAS Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)amino]phenyl]ethanone chloride IUPAC Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone chloride Traditional Name: 1-[3-acetyl-5-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone chloride Formula: C16H19ClN4O2 MolecularWeight: 334.80066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=[N+]1C)N)NC2=CC(=CC(=C2)C(=O)C)C(=O)C.[Cl-]

Isomeric SMILES

CC1=CC(=NC(=[N+]1C)N)NC2=CC(=CC(=C2)C(=O)C)C(=O)C.[Cl-]

InChI

InChI=1S/C16H18N4O2.ClH/c1-9-5-15(19-16(17)20(9)4)18-14-7-12(10(2)21)6-13(8-14)11(3)22;/h5-8H,1-4H3,(H2,17,18,19);1H