1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide

Systemtic Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide Openeye Name: 1-[1-cyano-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide CAS Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)-1-piperazin-1-iumyl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide IUPAC Name: 1-[1-cyano-2-methyl-4-(4-thiophen-2-ylhexyl)piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide Traditional Name: 1-[1-cyano-2-methyl-4-[4-(2-thienyl)hexyl]piperazin-1-ium-1-yl]-N-(3,4-dihydro-2H-quinolin-1-yl)ethanesulfonamide Formula: C27H40N5O2S2+ MolecularWeight: 530.7688

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCN1CC[N+](C(C1)C)(C#N)C(C)S(=O)(=O)NN2CCCC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CCC(CCCN1CC[N+](C(C1)C)(C#N)C(C)S(=O)(=O)NN2CCCC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C27H40N5O2S2/c1-4-24(27-14-9-19-35-27)11-7-15-30-17-18-32(21-28,22(2)20-30)23(3)36(33,34)29-31-16-8-12-25-10-5-6-13-26(25)31/h5-6,9-10,13-14,19,22-24,29H,4,7-8,11-12,15-18,20H2,1-3H3/q+1