3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-oxidanylidene-propanoate Openeye Name: 3-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-3-oxo-propanoate CAS Name: 3-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-3-oxopropanoate IUPAC Name: 3-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]propionate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O3/c1-3-9(2)12-4-6-13(7-5-12)10(14)8-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)/t9-/m0/s1