5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate

Systemtic Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Openeye Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate CAS Name: 5-tert-butyl-2-methyl-4-(1-pyrrolidin-1-iumylmethyl)-3-furancarboxylate IUPAC Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Traditional Name: 5-tert-butyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-3-furoate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)C(C)(C)C)C[NH+]2CCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)C(C)(C)C)C[NH+]2CCCC2)C(=O)[O-]

InChI

InChI=1S/C15H23NO3/c1-10-12(14(17)18)11(9-16-7-5-6-8-16)13(19-10)15(2,3)4/h5-9H2,1-4H3,(H,17,18)