5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C9H14N2O3 MolecularWeight: 198.21906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=CNC1=O)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=CNC1=O)OC)[O-]

InChI

InChI=1S/C9H14N2O3/c1-6(2)4-7-9(12)10-5-8(14-3)11(7)13/h5-6H,4H2,1-3H3,(H,10,12)