5-[(2-azanyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide

Systemtic Name: 5-[(2-azanyl-4,5-dihydro-1,3-thiazol-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Openeye Name: 5-[(2-amino-4,5-dihydrothiazol-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide CAS Name: 5-[(2-amino-4,5-dihydrothiazol-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide IUPAC Name: 5-[(2-amino-4,5-dihydro-1,3-thiazol-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione hydrobromide Traditional Name: 5-[(2-amino-2-thiazolin-3-ium-3-yl)methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone hydrobromide Formula: C12H13BrN5O4S+ MolecularWeight: 403.23172

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[N+]1CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])N.Br

Isomeric SMILES

C1CSC(=[N+]1CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])N.Br

InChI

InChI=1S/C12H11N5O4S.BrH/c13-12-16(1-2-22-12)5-6-3-7(17(20)21)4-8-9(6)15-11(19)10(18)14-8;/h3-4,13H,1-2,5H2,(H2,14,15,18,19);1H/p+1