4-(4-cyclopentylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-4-oxo-butanoate CAS Name: 4-(4-cyclopentyl-1-piperazin-4-iumyl)-4-oxobutanoate IUPAC Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-4-oxobutanoate Traditional Name: 4-(4-cyclopentylpiperazin-4-ium-1-yl)-4-keto-butyrate Formula: C13H22N2O3 MolecularWeight: 254.32538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)CCC(=O)[O-]

InChI

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