methyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C13H19N2O4S+ MolecularWeight: 299.36596

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H18N2O4S/c1-19-13(16)11-14-7-9-15(10-8-14)20(17,18)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1