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

Systemtic Name: 4-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]benzenecarbonitrile perchlorate Openeye Name: 4-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]benzonitrile perchlorate CAS Name: 4-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methoxy]benzonitrile perchlorate IUPAC Name: 4-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methoxy]benzonitrile perchlorate Traditional Name: 4-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methoxy]benzonitrile perchlorate Formula: C14H15ClN4O5 MolecularWeight: 354.7457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O.ClHO4/c1-10-17-14(16)12(8-18(10)2)9-19-13-5-3-11(7-15)4-6-13;2-1(3,4)5/h3-6,8,16H,9H2,1-2H3;(H,2,3,4,5)