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

Systemtic Name: 5-ethoxy-3-(2-methylpropyl)-4-oxidanidyl-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Openeye Name: 5-ethoxy-3-isobutyl-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one CAS Name: 5-ethoxy-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one IUPAC Name: 5-ethoxy-3-(2-methylpropyl)-4-oxido-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Traditional Name: 5-ethoxy-3-isobutyl-4-oxido-6-(3,4,5-trimethoxybenzyl)-1H-pyrazin-4-ium-2-one Formula: C20H28N2O6 MolecularWeight: 392.44612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC1=C(NC(=O)C(=[N+]1[O-])CC(C)C)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H28N2O6/c1-7-28-20-14(21-19(23)15(22(20)24)8-12(2)3)9-13-10-16(25-4)18(27-6)17(11-13)26-5/h10-12H,7-9H2,1-6H3,(H,21,23)