2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-(phenylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-(3-benzyl-4-tert-butoxycarbonyl-1-methyl-2-oxo-piperazin-1-ium-1-yl)acetate CAS Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-oxo-3-(phenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[3-benzyl-1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-ium-1-yl]acetate Traditional Name: 2-(3-benzyl-4-tert-butoxycarbonyl-2-keto-1-methyl-piperazin-1-ium-1-yl)acetate Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1CC2=CC=CC=C2)(C)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1CC2=CC=CC=C2)(C)CC(=O)[O-]

InChI

InChI=1S/C19H26N2O5/c1-19(2,3)26-18(25)20-10-11-21(4,13-16(22)23)17(24)15(20)12-14-8-6-5-7-9-14/h5-9,15H,10-13H2,1-4H3