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

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Openeye Name: 5-isobutyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate CAS Name: 2-methyl-5-(2-methylpropyl)-4-(1-pyrrolidin-1-iumylmethyl)-3-furancarboxylate IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate Traditional Name: 5-isobutyl-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)CC(C)C)C[NH+]2CCCC2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO3/c1-10(2)8-13-12(9-16-6-4-5-7-16)14(15(17)18)11(3)19-13/h10H,4-9H2,1-3H3,(H,17,18)