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

Systemtic Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-naphthalen-2-yl-ethanoate Openeye Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2-naphthyl)acetate CAS Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-(2-naphthalenyl)acetate IUPAC Name: (2S)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-naphthalen-2-ylacetate Traditional Name: (2S)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-(2-naphthyl)acetate Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@@H](C2=CC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)23-12-10-22(11-13-23)18(19(24)25)17-9-8-15-6-4-5-7-16(15)14-17/h4-9,14,18H,10-13H2,1-3H3,(H,24,25)/t18-/m0/s1