Molecule ID: 439745

IUPAC Name: 5-(cyclohexen-1-yl)-1,5-dimethyl-3-oxo-1,3-diazinan-3-ium-2,4,6-trione

Description: The molecule is an organic cation that is 1,2,4,6-tetraoxohexahydropyrimidin-1-ium substituted by a cyclohex-1-en-1-yl group at position 5 and methyl groups at positions 3 and 5.

SMILES: CN1C(=O)[N+](=O)C(=O)C(C)(C2=CCCCC2)C1=O

SELFIES: [C][N][C][=Branch1][C][=O][N+1][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][=O]

InChI: InChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1

Molecular Properties:
- Polar Surface Area: 74.5 Ų
- LogP: 0.5