(2R)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenyl-propanoate

Systemtic Name: (2R)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenyl-propanoate Openeye Name: (2R)-3-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-phenyl-propanoate CAS Name: (2R)-3-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]-2-phenylpropanoate IUPAC Name: (2R)-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]-2-phenylpropanoate Traditional Name: (2R)-3-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)-2-phenyl-propionate Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-18(2,3)24-17(23)20-11-9-19(10-12-20)13-15(16(21)22)14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,21,22)/t15-/m0/s1