1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride Openeye Name: 1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride CAS Name: 1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride Traditional Name: 1-(4-methoxyphenyl)sulfonyl-2-[(E)-tridec-8-enyl]piperazin-4-ium chloride Formula: C24H41ClN2O3S MolecularWeight: 473.11194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C/CCCCCCCC1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)OC.[Cl-]

InChI

InChI=1S/C24H40N2O3S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-21-25-19-20-26(22)30(27,28)24-17-15-23(29-2)16-18-24;/h6-7,15-18,22,25H,3-5,8-14,19-21H2,1-2H3;1H/b7-6+;