1,2-dimethyl-5-(phenylazanylmethyl)pyrimidin-1-ium-4-amine perchlorate

Systemtic Name: 1,2-dimethyl-5-(phenylazanylmethyl)pyrimidin-1-ium-4-amine perchlorate Openeye Name: 5-(anilinomethyl)-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate CAS Name: 5-(anilinomethyl)-1,2-dimethyl-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 5-(anilinomethyl)-1,2-dimethylpyrimidin-1-ium-4-amine perchlorate Traditional Name: (4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl-phenyl-amine perchlorate Formula: C13H17ClN4O4 MolecularWeight: 328.75148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CNC2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CNC2=CC=CC=C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H16N4.ClHO4/c1-10-16-13(14)11(9-17(10)2)8-15-12-6-4-3-5-7-12;2-1(3,4)5/h3-7,9,14-15H,8H2,1-2H3;(H,2,3,4,5)