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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)C1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C14H21NO3/c1-14(2,3)12-10(8-11(18-12)13(16)17)9-15-6-4-5-7-15/h8H,4-7,9H2,1-3H3,(H,16,17)