1-[4-methoxy-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[(4-besylpiperazin-1-ium-1-yl)methyl]-4-methoxy-phenyl]ethanone Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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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=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-16(23)17-8-9-20(26-2)18(14-17)15-21-10-12-22(13-11-21)27(24,25)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3/p+1