1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-one perchlorate

Systemtic Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-one perchlorate Openeye Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-one perchlorate CAS Name: 1,2-dimethyl-5-(1-pyridin-1-iumylmethyl)-4-pyrimidinone perchlorate IUPAC Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-one perchlorate Traditional Name: 1,2-dimethyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-one perchlorate Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=CN1C)C[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=NC(=O)C(=CN1C)C[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H14N3O.ClHO4/c1-10-13-12(16)11(8-14(10)2)9-15-6-4-3-5-7-15;2-1(3,4)5/h3-8H,9H2,1-2H3;(H,2,3,4,5)/q+1;/p-1