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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-morpholino-ethyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C18H35N5O3S+2 MolecularWeight: 401.5672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H33N5O3S/c24-17(22-10-14-26-15-11-22)16-21-4-6-23(7-5-21)18(27)19-2-1-3-20-8-12-25-13-9-20/h1-16H2,(H,19,27)/p+2