3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]phenol perchlorate

Systemtic Name: 3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]phenol perchlorate Openeye Name: 3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]phenol perchlorate CAS Name: 3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methoxy]phenol perchlorate IUPAC Name: 3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methoxy]phenol perchlorate Traditional Name: 3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]phenol perchlorate Formula: C13H16ClN3O6 MolecularWeight: 345.73564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2.ClHO4/c1-9-15-13(14)10(7-16(9)2)8-18-12-5-3-4-11(17)6-12;2-1(3,4)5/h3-7,14,17H,8H2,1-2H3;(H,2,3,4,5)