1-[3-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone Formula: C20H24ClN2O4S+ MolecularWeight: 423.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl

InChI

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