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

Systemtic Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Openeye Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide CAS Name: 4-[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethoxy]benzenesulfonamide IUPAC Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Traditional Name: 4-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethoxy]benzenesulfonamide Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-16-4-3-5-20(17(16)2)23-12-10-22(11-13-23)14-15-26-18-6-8-19(9-7-18)27(21,24)25/h3-9H,10-15H2,1-2H3,(H2,21,24,25)/p+1