(2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-carbethoxypiperazin-1-ium-1-yl)acetate Formula: C24H26N4O5 MolecularWeight: 450.48704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H26N4O5/c1-2-33-24(32)28-12-10-27(11-13-28)21(23(30)31)19-15-25-20-14-17(8-9-18(19)20)26-22(29)16-6-4-3-5-7-16/h3-9,14-15,21,25H,2,10-13H2,1H3,(H,26,29)(H,30,31)/t21-/m0/s1