2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one

Systemtic Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one Openeye Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one CAS Name: 2,3-dimethyl-5-(1-pyridin-1-iumylmethyl)-1H-pyrimidin-3-ium-6-one IUPAC Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one Traditional Name: 2,3-dimethyl-5-(pyridin-1-ium-1-ylmethyl)-1H-pyrimidin-3-ium-6-one Formula: C12H15N3O+2 MolecularWeight: 217.267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=O)N1)C[N+]2=CC=CC=C2)C

Isomeric SMILES

CC1=[N+](C=C(C(=O)N1)C[N+]2=CC=CC=C2)C

InChI

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