N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide

Systemtic Name: N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: N,N-dimethyl-4-[2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: N,N-dimethyl-4-[2-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]ethoxy]benzenesulfonamide IUPAC Name: N,N-dimethyl-4-[2-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: N,N-dimethyl-4-[2-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]ethoxy]benzenesulfonamide Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=N3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)OCCN2CC[NH+](CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H28N4O3S/c1-22(2)28(25,26)20-8-6-19(7-9-20)27-16-15-23-11-13-24(14-12-23)17-18-5-3-4-10-21-18/h3-10H,11-17H2,1-2H3/p+1