(2S)-2-(3-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(3-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)acetate CAS Name: (2S)-2-(3-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(3-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(3-methoxyphenyl)acetate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-18(2,3)25-17(23)20-10-8-19(9-11-20)15(16(21)22)13-6-5-7-14(12-13)24-4/h5-7,12,15H,8-11H2,1-4H3,(H,21,22)/t15-/m0/s1