5-[(1R)-1-(4-ethylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1R)-1-(4-ethylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: 5-[(1R)-1-(4-ethylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1R)-1-(4-ethyl-1-piperazin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1R)-1-(4-ethylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1R)-1-(4-ethylpiperazin-1-ium-1-yl)ethyl]-2-furoate Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@H](C)C2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-3-14-6-8-15(9-7-14)10(2)11-4-5-12(18-11)13(16)17/h4-5,10H,3,6-9H2,1-2H3,(H,16,17)/t10-/m1/s1