(2R)-2-(3-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(3-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(3-bromophenyl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(3-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(3-bromophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(3-bromophenyl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23BrN2O4/c1-17(2,3)24-16(23)20-9-7-19(8-10-20)14(15(21)22)12-5-4-6-13(18)11-12/h4-6,11,14H,7-10H2,1-3H3,(H,21,22)/t14-/m1/s1