(2S)-2-[2-cyanoethyl(methyl)azaniumyl]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-cyanoethyl(methyl)azaniumyl]-3-methyl-butanoate Openeye Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-3-methyl-butanoate CAS Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-3-methylbutanoate IUPAC Name: (2S)-2-[2-cyanoethyl(methyl)azaniumyl]-3-methylbutanoate Traditional Name: (2S)-2-[2-cyanoethyl(methyl)ammonio]-3-methyl-butyrate Formula: C9H16N2O2 MolecularWeight: 184.23554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+](C)CCC#N

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+](C)CCC#N

InChI

InChI=1S/C9H16N2O2/c1-7(2)8(9(12)13)11(3)6-4-5-10/h7-8H,4,6H2,1-3H3,(H,12,13)/t8-/m0/s1