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

Systemtic Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxidanylidene-3-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-[(4-benzyloxyphenyl)methyl]-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-[(4-phenylmethoxyphenyl)methyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3-[(4-phenylmethoxyphenyl)methyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[3-(4-benzoxybenzyl)-4-tert-butoxycarbonyl-2-keto-1-methyl-piperazin-1-ium-1-yl]acetate Formula: C26H32N2O6 MolecularWeight: 468.54208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3)(C)CC(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](C(=O)C1CC2=CC=C(C=C2)OCC3=CC=CC=C3)(C)CC(=O)[O-]

InChI

InChI=1S/C26H32N2O6/c1-26(2,3)34-25(32)27-14-15-28(4,17-23(29)30)24(31)22(27)16-19-10-12-21(13-11-19)33-18-20-8-6-5-7-9-20/h5-13,22H,14-18H2,1-4H3