1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propane-1,3-dione

Systemtic Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propane-1,3-dione Openeye Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-propane-1,3-dione CAS Name: 1,3-bis(4-methyl-1-piperazin-4-iumyl)-2-[(3-methyl-2-quinoxalinyl)thio]propane-1,3-dione IUPAC Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropane-1,3-dione Traditional Name: 1,3-bis(4-methylpiperazin-4-ium-1-yl)-2-[(3-methylquinoxalin-2-yl)thio]propane-1,3-dione Formula: C22H32N6O2S+2 MolecularWeight: 444.59348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC(C(=O)N3CC[NH+](CC3)C)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC(C(=O)N3CC[NH+](CC3)C)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H30N6O2S/c1-16-20(24-18-7-5-4-6-17(18)23-16)31-19(21(29)27-12-8-25(2)9-13-27)22(30)28-14-10-26(3)11-15-28/h4-7,19H,8-15H2,1-3H3/p+2