1-(4-methoxyphenyl)-4-methylsulfonyl-piperazin-1-ium chloride

Systemtic Name: 1-(4-methoxyphenyl)-4-methylsulfonyl-piperazin-1-ium chloride Openeye Name: 1-(4-methoxyphenyl)-4-methylsulfonyl-piperazin-1-ium chloride CAS Name: 1-(4-methoxyphenyl)-4-methylsulfonylpiperazin-1-ium chloride IUPAC Name: 1-(4-methoxyphenyl)-4-methylsulfonylpiperazin-1-ium chloride Traditional Name: 1-mesyl-4-(4-methoxyphenyl)piperazin-4-ium chloride Formula: C12H19ClN2O3S MolecularWeight: 306.80886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[NH+]2CCN(CC2)S(=O)(=O)C.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)[NH+]2CCN(CC2)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C12H18N2O3S.ClH/c1-17-12-5-3-11(4-6-12)13-7-9-14(10-8-13)18(2,15)16;/h3-6H,7-10H2,1-2H3;1H