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

Systemtic Name: (2S)-2-(6-benzamido-1H-indol-3-yl)-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-benzamido-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-2-(6-benzamido-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-benzamido-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-2-(6-benzamido-1H-indol-3-yl)acetate Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O4/c1-15(28)26-9-11-27(12-10-26)21(23(30)31)19-14-24-20-13-17(7-8-18(19)20)25-22(29)16-5-3-2-4-6-16/h2-8,13-14,21,24H,9-12H2,1H3,(H,25,29)(H,30,31)/t21-/m0/s1