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

Systemtic Name: 4-[(dipropylazaniumyl)methyl]-5-methyl-furan-2-carboxylate Openeye Name: 4-[(dipropylammonio)methyl]-5-methyl-furan-2-carboxylate CAS Name: 4-[(dipropylammonio)methyl]-5-methyl-2-furancarboxylate IUPAC Name: 4-[(dipropylazaniumyl)methyl]-5-methylfuran-2-carboxylate Traditional Name: 4-[(dipropylammonio)methyl]-5-methyl-2-furoate Formula: C13H21NO3 MolecularWeight: 239.31074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO3/c1-4-6-14(7-5-2)9-11-8-12(13(15)16)17-10(11)3/h8H,4-7,9H2,1-3H3,(H,15,16)