methyl 4-[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2R)-1-cyclopentyl-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-cyclopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-cyclopentyl-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-cyclopentyl-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-1-cyclopentyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C16H28N3O4+ MolecularWeight: 326.41122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NCC[NH+]1C2CCCC2

Isomeric SMILES

COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1C2CCCC2

InChI

InChI=1S/C16H27N3O4/c1-23-15(21)7-4-8-17-14(20)11-13-16(22)18-9-10-19(13)12-5-2-3-6-12/h12-13H,2-11H2,1H3,(H,17,20)(H,18,22)/p+1/t13-/m1/s1