(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoate

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-3-methyl-butanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butanoate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-3-methylbutanoate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methylbutanoate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-3-methyl-butyrate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH+]1CCN(CC1)C(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])[NH+]1CCN(CC1)C(=O)C

InChI

InChI=1S/C11H20N2O3/c1-8(2)10(11(15)16)13-6-4-12(5-7-13)9(3)14/h8,10H,4-7H2,1-3H3,(H,15,16)/t10-/m0/s1