1-(3-methoxyphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride

Systemtic Name: 1-(3-methoxyphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride Openeye Name: 1-(3-methoxyphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride CAS Name: 1-(3-methoxyphenyl)sulfonyl-2-octylpiperazin-4-ium chloride IUPAC Name: 1-(3-methoxyphenyl)sulfonyl-2-octylpiperazin-4-ium chloride Traditional Name: 1-(3-methoxyphenyl)sulfonyl-2-octyl-piperazin-4-ium chloride Formula: C19H33ClN2O3S MolecularWeight: 404.99492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=CC(=C2)OC.[Cl-]

Isomeric SMILES

CCCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=CC(=C2)OC.[Cl-]

InChI

InChI=1S/C19H32N2O3S.ClH/c1-3-4-5-6-7-8-10-17-16-20-13-14-21(17)25(22,23)19-12-9-11-18(15-19)24-2;/h9,11-12,15,17,20H,3-8,10,13-14,16H2,1-2H3;1H