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

Systemtic Name: methyl 4-[2-[(2R)-1-(cyclohexylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-(cyclohexylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-(cyclohexylmethyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-1-(cyclohexylmethyl)-3-keto-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C18H32N3O4+ MolecularWeight: 354.46438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NCC[NH+]1CC2CCCCC2

Isomeric SMILES

COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2CCCCC2

InChI

InChI=1S/C18H31N3O4/c1-25-17(23)8-5-9-19-16(22)12-15-18(24)20-10-11-21(15)13-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,19,22)(H,20,24)/p+1/t15-/m1/s1