6-(1-ethylindol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one

Systemtic Name: 6-(1-ethylindol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one Openeye Name: 6-(1-ethylindol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 6-(1-ethyl-3-indolyl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumone IUPAC Name: 6-(1-ethylindol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one Traditional Name: 6-(1-ethylindol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C3=C([N+](=C(C(=O)N3C)CC(C)C)[O-])OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C3=C([N+](=C(C(=O)N3C)CC(C)C)[O-])OC

InChI

InChI=1S/C20H25N3O3/c1-6-22-12-15(14-9-7-8-10-16(14)22)18-20(26-5)23(25)17(11-13(2)3)19(24)21(18)4/h7-10,12-13H,6,11H2,1-5H3