4-oxidanylidene-4-(4-propan-2-ylpiperazin-4-ium-1-yl)butanoate

Systemtic Name: 4-oxidanylidene-4-(4-propan-2-ylpiperazin-4-ium-1-yl)butanoate Openeye Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-oxo-4-(4-propan-2-yl-1-piperazin-4-iumyl)butanoate IUPAC Name: 4-oxo-4-(4-propan-2-ylpiperazin-4-ium-1-yl)butanoate Traditional Name: 4-(4-isopropylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C11H20N2O3 MolecularWeight: 228.2881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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