5-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-5-oxopentanoate IUPAC Name: 5-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-5-oxopentanoate Traditional Name: 5-keto-5-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]valerate Formula: C13H24N2O3 MolecularWeight: 256.34126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N2O3/c1-3-11(2)14-7-9-15(10-8-14)12(16)5-4-6-13(17)18/h11H,3-10H2,1-2H3,(H,17,18)/t11-/m0/s1