ethyl 2-[1-[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]cyclohexyl]ethanoate

Systemtic Name: ethyl 2-[1-[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]cyclohexyl]ethanoate Openeye Name: ethyl 2-[1-[[2-[(2R)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]cyclohexyl]acetate CAS Name: 2-[1-[[2-[(2R)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]cyclohexyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[2-[(2R)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]acetyl]amino]cyclohexyl]acetate Traditional Name: 2-[1-[[2-[(2R)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]cyclohexyl]acetic acid ethyl ester Formula: C21H36N3O4+ MolecularWeight: 394.52824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(CCCCC1)NC(=O)CC2C(=O)NCC[NH+]2C3CCCC3

Isomeric SMILES

CCOC(=O)CC1(CCCCC1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2C3CCCC3

InChI

InChI=1S/C21H35N3O4/c1-2-28-19(26)15-21(10-6-3-7-11-21)23-18(25)14-17-20(27)22-12-13-24(17)16-8-4-5-9-16/h16-17H,2-15H2,1H3,(H,22,27)(H,23,25)/p+1/t17-/m1/s1