3,3-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one

Systemtic Name: 3,3-dimethyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one Openeye Name: 3,3-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one CAS Name: 3,3-dimethyl-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]-1H-quinoxalin-2-one IUPAC Name: 3,3-dimethyl-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-quinoxalin-2-one Traditional Name: 3,3-dimethyl-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]-1H-quinoxalin-2-one Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H19N3O3S/c1-12(25-15-10-6-7-11-20(15)24)16(22)21-14-9-5-4-8-13(14)19-17(23)18(21,2)3/h4-12H,1-3H3,(H,19,23)