1-[4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-15(24)16-3-6-19(7-4-16)28(25,26)23-11-9-22(10-12-23)14-17-13-18(21)5-8-20(17)27-2/h3-8,13H,9-12,14H2,1-2H3/p+1