(2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-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-(7-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-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-(7-methoxy-1H-indol-3-yl)acetate Formula: C20H27N3O5 MolecularWeight: 389.44548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=CC=C3OC)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC=C3OC)C(=O)[O-]

InChI

InChI=1S/C20H27N3O5/c1-20(2,3)28-19(26)23-10-8-22(9-11-23)17(18(24)25)14-12-21-16-13(14)6-5-7-15(16)27-4/h5-7,12,17,21H,8-11H2,1-4H3,(H,24,25)/t17-/m0/s1