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

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-1,3-bis(4-methyl-1-piperazin-4-iumyl)propane-1,3-dione IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-1,3-bis(4-methylpiperazin-4-ium-1-yl)propane-1,3-dione Formula: C17H30N6O2S+2 MolecularWeight: 382.5241

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC=CN3C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C(C(=O)N2CC[NH+](CC2)C)SC3=NC=CN3C

InChI

InChI=1S/C17H28N6O2S/c1-19-6-10-22(11-7-19)15(24)14(26-17-18-4-5-21(17)3)16(25)23-12-8-20(2)9-13-23/h4-5,14H,6-13H2,1-3H3/p+2