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

Systemtic Name: (2R)-2-(3-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-(m-tolyl)acetate CAS Name: (2R)-2-(3-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(3-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-(m-tolyl)acetate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(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/c1-13-6-5-7-14(12-13)15(16(21)22)19-8-10-20(11-9-19)17(23)24-18(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,21,22)/t15-/m1/s1