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

Systemtic Name: 5-methoxy-3-(2-methylpropyl)-6-[[2-(2-methylpropyl)-1H-indol-3-yl]methyl]-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-isobutyl-6-[(2-isobutyl-1H-indol-3-yl)methyl]-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-3-(2-methylpropyl)-6-[[2-(2-methylpropyl)-1H-indol-3-yl]methyl]-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-methoxy-3-(2-methylpropyl)-6-[[2-(2-methylpropyl)-1H-indol-3-yl]methyl]-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-isobutyl-6-[(2-isobutyl-1H-indol-3-yl)methyl]-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=CC=CC=C2N1)CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

Isomeric SMILES

CC(C)CC1=C(C2=CC=CC=C2N1)CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

InChI

InChI=1S/C22H29N3O3/c1-13(2)10-18-16(15-8-6-7-9-17(15)23-18)12-19-22(28-5)25(27)20(11-14(3)4)21(26)24-19/h6-9,13-14,23H,10-12H2,1-5H3,(H,24,26)