N,N-dimethyl-3-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]methyl]benzenesulfonamide Openeye Name: N,N-dimethyl-3-[[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]methyl]benzenesulfonamide CAS Name: N,N-dimethyl-3-[[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]methyl]benzenesulfonamide IUPAC Name: N,N-dimethyl-3-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]methyl]benzenesulfonamide Traditional Name: 3-[[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C20H33N4O3S+ MolecularWeight: 409.56602

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)N3CCCCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CC[NH+](CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C20H32N4O3S/c1-21(2)28(26,27)19-8-6-7-18(15-19)16-22-11-13-23(14-12-22)17-20(25)24-9-4-3-5-10-24/h6-8,15H,3-5,9-14,16-17H2,1-2H3/p+1