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

Systemtic Name: 5-ethyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-ethyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-ethyl-4-(1-piperidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-ethyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-ethyl-4-(piperidin-1-ium-1-ylmethyl)-2-furoate Formula: C13H19NO3 MolecularWeight: 237.29486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

InChI

InChI=1S/C13H19NO3/c1-2-11-10(8-12(17-11)13(15)16)9-14-6-4-3-5-7-14/h8H,2-7,9H2,1H3,(H,15,16)