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

Systemtic Name: 2-methyl-5-(2-methylpropyl)-4-(piperidin-1-ium-1-ylmethyl)furan-3-carboxylate Openeye Name: 5-isobutyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-3-carboxylate CAS Name: 2-methyl-5-(2-methylpropyl)-4-(1-piperidin-1-iumylmethyl)-3-furancarboxylate IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-(piperidin-1-ium-1-ylmethyl)furan-3-carboxylate Traditional Name: 5-isobutyl-2-methyl-4-(piperidin-1-ium-1-ylmethyl)-3-furoate Formula: C16H25NO3 MolecularWeight: 279.3746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(O1)CC(C)C)C[NH+]2CCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=C(O1)CC(C)C)C[NH+]2CCCCC2)C(=O)[O-]

InChI

InChI=1S/C16H25NO3/c1-11(2)9-14-13(10-17-7-5-4-6-8-17)15(16(18)19)12(3)20-14/h11H,4-10H2,1-3H3,(H,18,19)