2-[1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: 2-[1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]acetate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)[O-]

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCNC(=O)C2CC(=O)[O-]

InChI

InChI=1S/C13H22N2O3/c16-12(17)8-11-13(18)14-6-7-15(11)9-10-4-2-1-3-5-10/h10-11H,1-9H2,(H,14,18)(H,16,17)