(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-benzyloxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-benzoxy-1H-indol-3-yl)acetate Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-16(27)25-9-11-26(12-10-25)22(23(28)29)20-14-24-21-13-18(7-8-19(20)21)30-15-17-5-3-2-4-6-17/h2-8,13-14,22,24H,9-12,15H2,1H3,(H,28,29)/t22-/m0/s1