3-methyl-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate

Systemtic Name: 3-methyl-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 3-methyl-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 3-methyl-5-(1-piperidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 3-methyl-5-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 3-methyl-5-(piperidin-1-ium-1-ylmethyl)-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)C[NH+]2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(OC(=C1)C[NH+]2CCCCC2)C(=O)[O-]

InChI

InChI=1S/C12H17NO3/c1-9-7-10(16-11(9)12(14)15)8-13-5-3-2-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)