(2R)-2-(2,4-dichlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(2,4-dichlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2,4-dichlorophenyl)acetate CAS Name: (2R)-2-(2,4-dichlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(2,4-dichlorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2,4-dichlorophenyl)acetate Formula: C17H22Cl2N2O4 MolecularWeight: 389.27358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=C(C=C(C=C2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@H](C2=C(C=C(C=C2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C17H22Cl2N2O4/c1-17(2,3)25-16(24)21-8-6-20(7-9-21)14(15(22)23)12-5-4-11(18)10-13(12)19/h4-5,10,14H,6-9H2,1-3H3,(H,22,23)/t14-/m1/s1