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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-keto-2-pyrrolidino-ethyl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazin-4-ium-1-carbothioamide Formula: C18H35N5O2S+2 MolecularWeight: 385.5678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H33N5O2S/c24-17(22-6-1-2-7-22)16-21-8-10-23(11-9-21)18(26)19-4-3-5-20-12-14-25-15-13-20/h1-16H2,(H,19,26)/p+2