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

Systemtic Name: 1,2-dimethyl-5-[(4-nitrophenoxy)methyl]pyrimidin-1-ium-4-amine perchlorate Openeye Name: 1,2-dimethyl-5-[(4-nitrophenoxy)methyl]pyrimidin-1-ium-4-amine perchlorate CAS Name: 1,2-dimethyl-5-[(4-nitrophenoxy)methyl]-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 1,2-dimethyl-5-[(4-nitrophenoxy)methyl]pyrimidin-1-ium-4-amine perchlorate Traditional Name: [1,2-dimethyl-5-[(4-nitrophenoxy)methyl]pyrimidin-1-ium-4-yl]amine perchlorate Formula: C13H15ClN4O7 MolecularWeight: 374.7338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3.ClHO4/c1-9-15-13(14)10(7-16(9)2)8-20-12-5-3-11(4-6-12)17(18)19;2-1(3,4)5/h3-7,14H,8H2,1-2H3;(H,2,3,4,5)