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

Systemtic Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxidanylidene-propanoate Openeye Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxo-propanoate CAS Name: 3-(4-cyclohexyl-1-piperazin-4-iumyl)-3-oxopropanoate IUPAC Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-oxopropanoate Traditional Name: 3-(4-cyclohexylpiperazin-4-ium-1-yl)-3-keto-propionate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CC(=O)[O-]

InChI

InChI=1S/C13H22N2O3/c16-12(10-13(17)18)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h11H,1-10H2,(H,17,18)