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

Systemtic Name: methyl 1-(4-bromophenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Openeye Name: methyl 1-(4-bromophenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride CAS Name: 1-(4-bromophenyl)sulfonyl-2-piperazin-4-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl 1-(4-bromophenyl)sulfonylpiperazin-4-ium-2-carboxylate chloride Traditional Name: 1-brosylpiperazin-4-ium-2-carboxylic acid methyl ester chloride Formula: C12H16BrClN2O4S MolecularWeight: 399.68844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15BrN2O4S.ClH/c1-19-12(16)11-8-14-6-7-15(11)20(17,18)10-4-2-9(13)3-5-10;/h2-5,11,14H,6-8H2,1H3;1H