4-chloranyl-N-[2-methyl-1-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-methyl-1-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1,1-dimethyl-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-1-(4-phenyl-1-piperazin-1-iumyl)propan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[2-methyl-1-(4-phenylpiperazin-1-ium-1-yl)propan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[1,1-dimethyl-2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzenesulfonamide Formula: C20H27ClN3O2S+ MolecularWeight: 408.96528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C[NH+]1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O2S/c1-20(2,22-27(25,26)19-10-8-17(21)9-11-19)16-23-12-14-24(15-13-23)18-6-4-3-5-7-18/h3-11,22H,12-16H2,1-2H3/p+1