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

Systemtic Name: 5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-methyl-4-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-2-furoate Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3/c1-8-9(6-10(15-8)11(13)14)7-12-4-2-3-5-12/h6H,2-5,7H2,1H3,(H,13,14)