(2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(6-acetamido-1H-indol-3-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetate Formula: C24H28N4O4 MolecularWeight: 436.50352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C(C3=CNC4=C3C=CC(=C4)NC(=O)C)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=CC(=C4)NC(=O)C)C(=O)[O-]

InChI

InChI=1S/C24H28N4O4/c1-3-32-22-7-5-4-6-21(22)27-10-12-28(13-11-27)23(24(30)31)19-15-25-20-14-17(26-16(2)29)8-9-18(19)20/h4-9,14-15,23,25H,3,10-13H2,1-2H3,(H,26,29)(H,30,31)/t23-/m0/s1