4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-N,N-dimethylbenzenesulfonamide Traditional Name: N,N-dimethyl-4-(4-veratrylpiperazin-4-ium-1-yl)sulfonyl-benzenesulfonamide Formula: C21H30N3O6S2+ MolecularWeight: 484.6094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S2/c1-22(2)31(25,26)18-6-8-19(9-7-18)32(27,28)24-13-11-23(12-14-24)16-17-5-10-20(29-3)21(15-17)30-4/h5-10,15H,11-14,16H2,1-4H3/p+1