3-oxidanylidene-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propanoate

Systemtic Name: 3-oxidanylidene-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propanoate Openeye Name: 3-(4-isopropylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-oxo-3-(4-propan-2-yl-1-piperazin-4-iumyl)propanoate IUPAC Name: 3-oxo-3-(4-propan-2-ylpiperazin-4-ium-1-yl)propanoate Traditional Name: 3-(4-isopropylpiperazin-4-ium-1-yl)-3-keto-propionate Formula: C10H18N2O3 MolecularWeight: 214.26152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2O3/c1-8(2)11-3-5-12(6-4-11)9(13)7-10(14)15/h8H,3-7H2,1-2H3,(H,14,15)