5-(1-ethanoylindol-3-yl)-1-methyl-3-(3-methylbutoxy)-4-oxidanidyl-pyrazin-4-ium-2-one

Systemtic Name: 5-(1-ethanoylindol-3-yl)-1-methyl-3-(3-methylbutoxy)-4-oxidanidyl-pyrazin-4-ium-2-one Openeye Name: 5-(1-acetylindol-3-yl)-3-isopentyloxy-1-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 5-(1-acetyl-3-indolyl)-1-methyl-3-(3-methylbutoxy)-4-oxido-2-pyrazin-4-iumone IUPAC Name: 5-(1-acetylindol-3-yl)-1-methyl-3-(3-methylbutoxy)-4-oxidopyrazin-4-ium-2-one Traditional Name: 5-(1-acetylindol-3-yl)-3-isoamoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=[N+](C(=CN(C1=O)C)C2=CN(C3=CC=CC=C32)C(=O)C)[O-]

Isomeric SMILES

CC(C)CCOC1=[N+](C(=CN(C1=O)C)C2=CN(C3=CC=CC=C32)C(=O)C)[O-]

InChI

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