5-methoxy-6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 5-methoxy-6-[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-isobutyl-5-methoxy-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-6-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-methoxy-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-isobutyl-5-methoxy-6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-oxido-1H-pyrazin-4-ium-2-one Formula: C21H28N4O5 MolecularWeight: 416.47082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)C(=O)N2CCN(CC2)C3=CC(=CC=C3)OC)OC)[O-]

InChI

InChI=1S/C21H28N4O5/c1-14(2)12-17-19(26)22-18(21(30-4)25(17)28)20(27)24-10-8-23(9-11-24)15-6-5-7-16(13-15)29-3/h5-7,13-14H,8-12H2,1-4H3,(H,22,26)