N,N-dimethyl-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-dimethyl-4-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-carbonyl]benzenesulfonamide CAS Name: N,N-dimethyl-4-[oxo-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-carbonyl]benzenesulfonamide Traditional Name: 4-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H31N4O4S+ MolecularWeight: 423.54954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C20H30N4O4S/c1-21(2)29(27,28)18-8-6-17(7-9-18)20(26)24-14-12-22(13-15-24)16-19(25)23-10-4-3-5-11-23/h6-9H,3-5,10-16H2,1-2H3/p+1