2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-1,4-diamine perchlorate

Systemtic Name: 2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-1,4-diamine perchlorate Openeye Name: 2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-1,4-diamine perchlorate CAS Name: 2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-1,4-diamine perchlorate IUPAC Name: 2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-1,4-diamine perchlorate Traditional Name: [1-amino-2-methyl-5-(phenoxymethyl)pyrimidin-1-ium-4-yl]amine perchlorate Formula: C12H15ClN4O5 MolecularWeight: 330.7243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O.ClHO4/c1-9-15-12(13)10(7-16(9)14)8-17-11-5-3-2-4-6-11;2-1(3,4)5/h2-7,13H,8,14H2,1H3;(H,2,3,4,5)