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

Systemtic Name: N-cyclopentyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-cyclopentyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]piperazin-4-ium-1-carbothioamide CAS Name: N-cyclopentyl-4-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-cyclopentyl-4-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]piperazin-4-ium-1-carbothioamide Traditional Name: N-cyclopentyl-4-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]piperazin-4-ium-1-carbothioamide Formula: C17H33N5OS+2 MolecularWeight: 355.54182

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=S)NC3CCCC3

InChI

InChI=1S/C17H31N5OS/c1-19-6-10-21(11-7-19)16(23)14-20-8-12-22(13-9-20)17(24)18-15-4-2-3-5-15/h15H,2-14H2,1H3,(H,18,24)/p+2