[4-[(5E)-3-methyl-5-[2-(3-methyl-5-oxidanidylperoxysulfanyl-2H-1,3-benzoxazol-2-yl)ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]-5-oxidanylidene-3-azoniaspiro[2.2]pentan-2-yl]azanium

Systemtic Name: [4-[(5E)-3-methyl-5-[2-(3-methyl-5-oxidanidylperoxysulfanyl-2H-1,3-benzoxazol-2-yl)ethylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]-5-oxidanylidene-3-azoniaspiro[2.2]pentan-2-yl]azanium Openeye Name: [4-[(5E)-3-methyl-5-[2-(3-methyl-5-oxidoperoxysulfanyl-2H-1,3-benzoxazol-2-yl)ethylidene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]-5-oxo-3-azoniaspiro[2.2]pentan-2-yl]ammonium CAS Name: [4-[(5E)-3-methyl-5-[2-[3-methyl-5-(oxidodioxythio)-2H-1,3-benzoxazol-2-yl]ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-5-oxo-3-azoniaspiro[2.2]pentan-2-yl]ammonium IUPAC Name: [4-[(5E)-3-methyl-5-[2-(3-methyl-5-oxidoperoxysulfanyl-2H-1,3-benzoxazol-2-yl)ethylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]-5-oxo-3-azoniaspiro[2.2]pentan-2-yl]azanium Traditional Name: [5-keto-4-[(5E)-2,4,6-triketo-3-methyl-5-[2-[3-methyl-5-(oxidoperoxythio)-2H-1,3-benzoxazol-2-yl]ethylidene]hexahydropyrimidin-1-yl]-3-azoniaspiro[2.2]pentan-2-yl]ammonium Formula: C19H20N5O8S+ MolecularWeight: 478.4558

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(OC2=C1C=C(C=C2)SOO[O-])CC=C3C(=O)N(C(=O)N(C3=O)C4C(=O)[N+]45CC5[NH3+])C

Isomeric SMILES

CN1C(OC2=C1C=C(C=C2)SOO[O-])C/C=C/3\C(=O)N(C(=O)N(C3=O)C4C(=O)[N+]45CC5[NH3+])C

InChI

InChI=1S/C19H19N5O8S/c1-21-11-7-9(33-32-31-29)3-5-12(11)30-14(21)6-4-10-16(25)22(2)19(28)23(17(10)26)15-18(27)24(15)8-13(24)20/h3-5,7,13-15H,6,8,20H2,1-2H3/p+1/b10-4+