6-[(1-ethanoylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one

Systemtic Name: 6-[(1-ethanoylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-[(1-acetylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-[(1-acetyl-3-indolyl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-[(1-acetylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-[(1-acetylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CN(C3=CC=CC=C32)C(=O)C)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CN(C3=CC=CC=C32)C(=O)C)OC)[O-]

InChI

InChI=1S/C20H23N3O4/c1-12(2)9-18-19(25)21-16(20(27-4)23(18)26)10-14-11-22(13(3)24)17-8-6-5-7-15(14)17/h5-8,11-12H,9-10H2,1-4H3,(H,21,25)