3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanoate

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanoate Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-3-oxopropanoate IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: 3-keto-3-(4-methylpiperazin-4-ium-1-yl)propionate Formula: C8H14N2O3 MolecularWeight: 186.20836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O3/c1-9-2-4-10(5-3-9)7(11)6-8(12)13/h2-6H2,1H3,(H,12,13)