1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-piperidin-1-yl-ethanesulfonamide

Systemtic Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-piperidin-1-yl-ethanesulfonamide Openeye Name: 1-[1-cyano-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-yl]-N-(1-piperidyl)ethanesulfonamide CAS Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)-1-piperazin-1-iumyl]-N-(1-piperidinyl)ethanesulfonamide IUPAC Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-piperidin-1-ylethanesulfonamide Traditional Name: 1-[1-cyano-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-yl]-N-piperidino-ethanesulfonamide Formula: C23H40N5O2S2+ MolecularWeight: 482.726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(C#N)C(C)S(=O)(=O)NN2CCCCC2)C3=CC=CS3

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(C#N)C(C)S(=O)(=O)NN2CCCCC2)C3=CC=CS3

InChI

InChI=1S/C23H40N5O2S2/c1-4-22(23-11-9-17-31-23)10-8-12-26-15-16-28(19-24,20(2)18-26)21(3)32(29,30)25-27-13-6-5-7-14-27/h9,11,17,20-22,25H,4-8,10,12-16,18H2,1-3H3/q+1