methyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(2R)-1-indan-2-yl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]butanoate CAS Name: 4-[[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(2R)-1-indan-2-yl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]butyric acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CC1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)CCCNC(=O)C[C@@H]1C(=O)NCC[NH+]1C2CC3=CC=CC=C3C2

InChI

InChI=1S/C20H27N3O4/c1-27-19(25)7-4-8-21-18(24)13-17-20(26)22-9-10-23(17)16-11-14-5-2-3-6-15(14)12-16/h2-3,5-6,16-17H,4,7-13H2,1H3,(H,21,24)(H,22,26)/p+1/t17-/m1/s1