1-[4-[4-[(2R)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(2R)-3-(furan-2-ylmethoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(2R)-3-(2-furylmethoxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(2R)-3-(2-furanylmethoxy)-2-hydroxypropyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(2R)-3-(2-furfuryloxy)-2-hydroxy-propyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C20H27N2O6S+ MolecularWeight: 423.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(COCC3=CC=CO3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C[C@H](COCC3=CC=CO3)O

InChI

InChI=1S/C20H26N2O6S/c1-16(23)17-4-6-20(7-5-17)29(25,26)22-10-8-21(9-11-22)13-18(24)14-27-15-19-3-2-12-28-19/h2-7,12,18,24H,8-11,13-15H2,1H3/p+1/t18-/m1/s1