4-[(dibutylazaniumyl)methyl]-5-methyl-furan-2-carboxylate

Systemtic Name: 4-[(dibutylazaniumyl)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(dibutylammonio)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(dibutylammonio)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(dibutylazaniumyl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(dibutylammonio)methyl]-5-methyl-2-furoate Formula: C15H25NO3 MolecularWeight: 267.3639

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(OC(=C1)C(=O)[O-])C

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(OC(=C1)C(=O)[O-])C

InChI

InChI=1S/C15H25NO3/c1-4-6-8-16(9-7-5-2)11-13-10-14(15(17)18)19-12(13)3/h10H,4-9,11H2,1-3H3,(H,17,18)