tetradecyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride

Systemtic Name: tetradecyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Openeye Name: tetradecyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride CAS Name: 1-(4-methoxyphenyl)sulfonyl-2-piperazin-4-iumcarboxylic acid tetradecyl ester chloride IUPAC Name: tetradecyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Traditional Name: 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylic acid myristyl ester chloride Formula: C26H45ClN2O5S MolecularWeight: 533.1639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)OC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C1C[NH2+]CCN1S(=O)(=O)C2=CC=C(C=C2)OC.[Cl-]

InChI

InChI=1S/C26H44N2O5S.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-21-33-26(29)25-22-27-19-20-28(25)34(30,31)24-17-15-23(32-2)16-18-24;/h15-18,25,27H,3-14,19-22H2,1-2H3;1H