3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-N,N-dimethylbenzenesulfonamide Traditional Name: N,N-dimethyl-3-(4-piperonylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O5S/c1-22(2)30(26,27)18-5-3-4-17(13-18)21(25)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)29-15-28-19/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1