4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethoxy]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]-N,N-dimethyl-benzenesulfonamide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C22H31N3O3S/c1-18-6-5-7-22(19(18)2)25-14-12-24(13-15-25)16-17-28-20-8-10-21(11-9-20)29(26,27)23(3)4/h5-11H,12-17H2,1-4H3/p+1