ethyl 3-[(2R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 3-[(2R)-3-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 3-[(2R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 3-[(2R)-3-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2R)-3-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 3-[(2R)-3-[4-(2-furoyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C21H27N2O6+ MolecularWeight: 403.44888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OCC(C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)O

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC[C@@H](C[NH+]2CCN(CC2)C(=O)C3=CC=CO3)O

InChI

InChI=1S/C21H26N2O6/c1-2-27-21(26)16-5-3-6-18(13-16)29-15-17(24)14-22-8-10-23(11-9-22)20(25)19-7-4-12-28-19/h3-7,12-13,17,24H,2,8-11,14-15H2,1H3/p+1/t17-/m1/s1