5-ethyl-3-(2-methylpropyl)-4-oxidanidyl-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one

Systemtic Name: 5-ethyl-3-(2-methylpropyl)-4-oxidanidyl-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Openeye Name: 5-ethyl-3-isobutyl-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one CAS Name: 5-ethyl-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one IUPAC Name: 5-ethyl-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Traditional Name: 5-ethyl-3-isobutyl-4-oxido-6-(3,4,5-trimethoxybenzyl)-1H-pyrazin-4-ium-2-one Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H28N2O5/c1-7-15-14(21-20(23)16(22(15)24)8-12(2)3)9-13-10-17(25-4)19(27-6)18(11-13)26-5/h10-12H,7-9H2,1-6H3,(H,21,23)