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

Systemtic Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-tert-butyl-3-(1-piperidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-tert-butyl-3-(piperidin-1-ium-1-ylmethyl)-2-furoate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(O1)C(=O)[O-])C[NH+]2CCCCC2

Isomeric SMILES

CC(C)(C)C1=CC(=C(O1)C(=O)[O-])C[NH+]2CCCCC2

InChI

InChI=1S/C15H23NO3/c1-15(2,3)12-9-11(13(19-12)14(17)18)10-16-7-5-4-6-8-16/h9H,4-8,10H2,1-3H3,(H,17,18)