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

Systemtic Name: 5-ethyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-ethyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-ethyl-4-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-ethyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-ethyl-4-(pyrrolidin-1-ium-1-ylmethyl)-2-furoate Formula: C12H17NO3 MolecularWeight: 223.26828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

Isomeric SMILES

CCC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C12H17NO3/c1-2-10-9(7-11(16-10)12(14)15)8-13-5-3-4-6-13/h7H,2-6,8H2,1H3,(H,14,15)