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

Systemtic Name: 5-methoxy-3-methyl-1-[2-(2-methylpropyl)-1H-indol-3-yl]-4-oxidanidyl-pyrazin-4-ium-2-one Openeye Name: 1-(2-isobutyl-1H-indol-3-yl)-5-methoxy-3-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 5-methoxy-3-methyl-1-[2-(2-methylpropyl)-1H-indol-3-yl]-4-oxido-2-pyrazin-4-iumone IUPAC Name: 5-methoxy-3-methyl-1-[2-(2-methylpropyl)-1H-indol-3-yl]-4-oxidopyrazin-4-ium-2-one Traditional Name: 1-(2-isobutyl-1H-indol-3-yl)-5-methoxy-3-methyl-4-oxido-pyrazin-4-ium-2-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN(C1=O)C2=C(NC3=CC=CC=C32)CC(C)C)OC)[O-]

Isomeric SMILES

CC1=[N+](C(=CN(C1=O)C2=C(NC3=CC=CC=C32)CC(C)C)OC)[O-]

InChI

InChI=1S/C18H21N3O3/c1-11(2)9-15-17(13-7-5-6-8-14(13)19-15)20-10-16(24-4)21(23)12(3)18(20)22/h5-8,10-11,19H,9H2,1-4H3