(2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H26N4O3/c1-2-26-10-12-27(13-11-26)21(23(29)30)19-15-24-20-9-8-17(14-18(19)20)25-22(28)16-6-4-3-5-7-16/h3-9,14-15,21,24H,2,10-13H2,1H3,(H,25,28)(H,29,30)/t21-/m0/s1