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

Systemtic Name: (2R)-2-(2-methylphenyl)-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-(o-tolyl)acetate CAS Name: (2R)-2-(2-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(2-methylphenyl)-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-(o-tolyl)acetate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C(=O)[O-])[NH+]2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1[C@H](C(=O)[O-])[NH+]2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O4/c1-13-7-5-6-8-14(13)15(16(21)22)19-9-11-20(12-10-19)17(23)24-18(2,3)4/h5-8,15H,9-12H2,1-4H3,(H,21,22)/t15-/m1/s1