(2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[2-furylmethyl(methyl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[2-furanylmethyl(methyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[furan-2-ylmethyl(methyl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[2-furfuryl(methyl)ammonio]-3-methyl-butyrate Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17NO3/c1-8(2)10(11(13)14)12(3)7-9-5-4-6-15-9/h4-6,8,10H,7H2,1-3H3,(H,13,14)/t10-/m0/s1