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

Systemtic Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-9-4-6-13(7-5-9)8-10-2-3-11(16-10)12(14)15/h2-3,9H,4-8H2,1H3,(H,14,15)