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

Systemtic Name: 1-[3-[(2-azanyl-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone Openeye Name: 1-[3-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone CAS Name: 1-[3-[(2-amino-1,6-dimethyl-4-pyrimidin-1-iumyl)amino]phenyl]ethanone IUPAC Name: 1-[3-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone Traditional Name: 1-[3-[(2-amino-1,6-dimethyl-pyrimidin-1-ium-4-yl)amino]phenyl]ethanone Formula: C14H17N4O+ MolecularWeight: 257.31098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O/c1-9-7-13(17-14(15)18(9)3)16-12-6-4-5-11(8-12)10(2)19/h4-8H,1-3H3,(H2,15,16,17)/p+1