(2S)-2-[[(E)-4-oxidanylidenepent-2-en-2-yl]azaniumyl]propanoate

Systemtic Name: (2S)-2-[[(E)-4-oxidanylidenepent-2-en-2-yl]azaniumyl]propanoate Openeye Name: (2S)-2-[[(E)-1-methyl-3-oxo-but-1-enyl]ammonio]propanoate CAS Name: (2S)-2-[[(E)-4-oxopent-2-en-2-yl]ammonio]propanoate IUPAC Name: (2S)-2-[[(E)-4-oxopent-2-en-2-yl]azaniumyl]propanoate Traditional Name: (2S)-2-[[(E)-3-keto-1-methyl-but-1-enyl]ammonio]propionate Formula: C8H13NO3 MolecularWeight: 171.19372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]C(=CC(=O)C)C

Isomeric SMILES

C[C@@H](C(=O)[O-])[NH2+]/C(=C/C(=O)C)/C

InChI

InChI=1S/C8H13NO3/c1-5(4-6(2)10)9-7(3)8(11)12/h4,7,9H,1-3H3,(H,11,12)/b5-4+/t7-/m0/s1