5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate

Systemtic Name: 5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-methyl-4-(1-piperidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-methyl-4-(piperidin-1-ium-1-ylmethyl)-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

InChI

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