(3S)-3-(furan-2-ylmethylazaniumyl)-4-(3-methylbut-3-enoxy)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(3-methylbut-3-enoxy)-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-(3-methylbut-3-enoxy)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-(3-methylbut-3-enoxy)-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(3-methylbut-3-enoxy)-4-oxobutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-(3-methylbut-3-enoxy)butyrate Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCOC(=O)C(CC(=O)[O-])[NH2+]CC1=CC=CO1

Isomeric SMILES

CC(=C)CCOC(=O)[C@H](CC(=O)[O-])[NH2+]CC1=CC=CO1

InChI

InChI=1S/C14H19NO5/c1-10(2)5-7-20-14(18)12(8-13(16)17)15-9-11-4-3-6-19-11/h3-4,6,12,15H,1,5,7-9H2,2H3,(H,16,17)/t12-/m0/s1