5-[(3-chloranylphenoxy)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate

Systemtic Name: 5-[(3-chloranylphenoxy)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate Openeye Name: 5-[(3-chlorophenoxy)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate CAS Name: 5-[(3-chlorophenoxy)methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 5-[(3-chlorophenoxy)methyl]-1,2-dimethylpyrimidin-1-ium-4-amine perchlorate Traditional Name: [5-[(3-chlorophenoxy)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine perchlorate Formula: C13H15Cl2N3O5 MolecularWeight: 364.1813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)COC2=CC(=CC=C2)Cl)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)COC2=CC(=CC=C2)Cl)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H14ClN3O.ClHO4/c1-9-16-13(15)10(7-17(9)2)8-18-12-5-3-4-11(14)6-12;2-1(3,4)5/h3-7,15H,8H2,1-2H3;(H,2,3,4,5)