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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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