(2S)-2-(azocan-1-ium-1-yl)-3-methyl-butanoate

Systemtic Name: (2S)-2-(azocan-1-ium-1-yl)-3-methyl-butanoate Openeye Name: (2S)-2-(azocan-1-ium-1-yl)-3-methyl-butanoate CAS Name: (2S)-2-(1-azocan-1-iumyl)-3-methylbutanoate IUPAC Name: (2S)-2-(azocan-1-ium-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-(azocan-1-ium-1-yl)-3-methyl-butyrate Formula: C12H23NO2 MolecularWeight: 213.31652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCCCCCC1

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCCCCCC1

InChI

InChI=1S/C12H23NO2/c1-10(2)11(12(14)15)13-8-6-4-3-5-7-9-13/h10-11H,3-9H2,1-2H3,(H,14,15)/t11-/m0/s1