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

Systemtic Name: 5-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: 5-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1R)-1-(4-methyl-1-piperidin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1R)-1-(4-methylpiperidin-1-ium-1-yl)ethyl]-2-furoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](C)C2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C13H19NO3/c1-9-5-7-14(8-6-9)10(2)11-3-4-12(17-11)13(15)16/h3-4,9-10H,5-8H2,1-2H3,(H,15,16)/t10-/m1/s1