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

Systemtic Name: 6-[(1-ethylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-[(1-ethylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-[(1-ethyl-3-indolyl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-[(1-ethylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-[(1-ethylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-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)CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)CC3=C([N+](=C(C(=O)N3)CC(C)C)[O-])OC

InChI

InChI=1S/C20H25N3O3/c1-5-22-12-14(15-8-6-7-9-17(15)22)11-16-20(26-4)23(25)18(10-13(2)3)19(24)21-16/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,24)