1-(phenylsulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride

Systemtic Name: 1-(phenylsulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-besyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium chloride Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C19H24N2O5S.ClH/c1-24-17-13-15(14-18(25-2)19(17)26-3)20-9-11-21(12-10-20)27(22,23)16-7-5-4-6-8-16;/h4-8,13-14H,9-12H2,1-3H3;1H