(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl-triphenyl-phosphanium diperchlorate

Systemtic Name: (4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl-triphenyl-phosphanium diperchlorate Openeye Name: (4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl-triphenyl-phosphonium diperchlorate CAS Name: (4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl-triphenylphosphonium diperchlorate IUPAC Name: (4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl-triphenylphosphanium diperchlorate Traditional Name: (4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl-triphenyl-phosphonium diperchlorate Formula: C25H26Cl2N3O8P MolecularWeight: 598.369001

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C25H25N3P.2ClHO4/c1-20-27-25(26)21(18-28(20)2)19-29(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;2*2-1(3,4)5/h3-18,26H,19H2,1-2H3;2*(H,2,3,4,5)/q+1;;/p-1