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

Systemtic Name: methyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Openeye Name: methyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride CAS Name: 1-(4-methoxyphenyl)sulfonyl-2-piperazin-4-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Traditional Name: 1-(4-methoxyphenyl)sulfonylpiperazin-4-ium-2-carboxylic acid methyl ester chloride Formula: C13H19ClN2O5S MolecularWeight: 350.81836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2C(=O)OC.[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH2+]CC2C(=O)OC.[Cl-]

InChI

InChI=1S/C13H18N2O5S.ClH/c1-19-10-3-5-11(6-4-10)21(17,18)15-8-7-14-9-12(15)13(16)20-2;/h3-6,12,14H,7-9H2,1-2H3;1H