1-tert-butyl-3-methyl-pyrimidin-3-ium-2-one

Systemtic Name: 1-tert-butyl-3-methyl-pyrimidin-3-ium-2-one Openeye Name: 1-tert-butyl-3-methyl-pyrimidin-3-ium-2-one CAS Name: 1-tert-butyl-3-methyl-2-pyrimidin-3-iumone IUPAC Name: 1-tert-butyl-3-methylpyrimidin-3-ium-2-one Traditional Name: 1-tert-butyl-3-methyl-pyrimidin-3-ium-2-one Formula: C9H15N2O+ MolecularWeight: 167.2282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=[N+](C1=O)C

Isomeric SMILES

CC(C)(C)N1C=CC=[N+](C1=O)C

InChI

InChI=1S/C9H15N2O/c1-9(2,3)11-7-5-6-10(4)8(11)12/h5-7H,1-4H3/q+1