[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-(4-methylsulfonylphenyl)methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-methylsulfonylphenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-mesylphenyl)methanone Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S/c1-28(25,26)19-8-2-16(3-9-19)20(24)23-12-10-22(11-13-23)14-15-27-18-6-4-17(21)5-7-18/h2-9H,10-15H2,1H3/p+1