5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-6-(phenylmethyl)-1H-pyrazin-4-ium-2-one

Systemtic Name: 5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-6-(phenylmethyl)-1H-pyrazin-4-ium-2-one Openeye Name: 6-benzyl-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-3-(2-methylpropyl)-4-oxido-6-(phenylmethyl)-1H-pyrazin-4-ium-2-one IUPAC Name: 6-benzyl-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-benzyl-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CC=CC=C2)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CC=CC=C2)OC)[O-]

InChI

InChI=1S/C16H20N2O3/c1-11(2)9-14-15(19)17-13(16(21-3)18(14)20)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)