ethyl 4-[4-[(2R)-2,3-bis(oxidanyl)propyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2R)-2,3-bis(oxidanyl)propyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(2R)-2,3-dihydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-2,3-dihydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-2,3-dihydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2R)-2,3-dihydroxypropyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C16H25N2O6S+ MolecularWeight: 373.4445

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(CO)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](CO)O

InChI

InChI=1S/C16H24N2O6S/c1-2-24-16(21)13-3-5-15(6-4-13)25(22,23)18-9-7-17(8-10-18)11-14(20)12-19/h3-6,14,19-20H,2,7-12H2,1H3/p+1/t14-/m1/s1