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

Systemtic Name: 5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Openeye Name: 5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate CAS Name: 5-methyl-2-(1-pyrrolidin-1-iumylmethyl)-3-furancarboxylate IUPAC Name: 5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Traditional Name: 5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)-3-furoate Formula: C11H15NO3 MolecularWeight: 209.2417

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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