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

Systemtic Name: 4-(piperidin-1-ium-1-ylmethyl)-5-propyl-furan-2-carboxylate Openeye Name: 4-(piperidin-1-ium-1-ylmethyl)-5-propyl-furan-2-carboxylate CAS Name: 4-(1-piperidin-1-iumylmethyl)-5-propyl-2-furancarboxylate IUPAC Name: 4-(piperidin-1-ium-1-ylmethyl)-5-propylfuran-2-carboxylate Traditional Name: 4-(piperidin-1-ium-1-ylmethyl)-5-propyl-2-furoate Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

CCCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCCC2

InChI

InChI=1S/C14H21NO3/c1-2-6-12-11(9-13(18-12)14(16)17)10-15-7-4-3-5-8-15/h9H,2-8,10H2,1H3,(H,16,17)