1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]propane-1,3-dione

Systemtic Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(3-oxidanylidene-4H-quinoxalin-2-yl)sulfanyl]propane-1,3-dione Openeye Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]propane-1,3-dione CAS Name: 1,3-bis(4-methyl-1-piperazin-4-iumyl)-2-[(3-oxo-4H-quinoxalin-2-yl)thio]propane-1,3-dione IUPAC Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(3-oxo-4H-quinoxalin-2-yl)sulfanyl]propane-1,3-dione Traditional Name: 2-[(3-keto-4H-quinoxalin-2-yl)thio]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C21H30N6O3S+2 MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H28N6O3S/c1-24-7-11-26(12-8-24)20(29)17(21(30)27-13-9-25(2)10-14-27)31-19-18(28)22-15-5-3-4-6-16(15)23-19/h3-6,17H,7-14H2,1-2H3,(H,22,28)/p+2