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

Systemtic Name: 5-(2-methylpropyl)-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-isobutyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-(2-methylpropyl)-4-(1-piperidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-(2-methylpropyl)-4-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-isobutyl-4-(piperidin-1-ium-1-ylmethyl)-2-furoate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO3/c1-11(2)8-13-12(9-14(19-13)15(17)18)10-16-6-4-3-5-7-16/h9,11H,3-8,10H2,1-2H3,(H,17,18)