4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C19H39N6O2S+3 MolecularWeight: 415.61696

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C19H36N6O2S/c1-21-5-9-24(10-6-21)18(26)17-23-7-11-25(12-8-23)19(28)20-3-2-4-22-13-15-27-16-14-22/h2-17H2,1H3,(H,20,28)/p+3