(2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetate Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C(C3=CNC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@@H](C3=CNC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H28N4O4/c1-36-25-10-6-5-9-24(25)31-13-15-32(16-14-31)26(28(34)35)22-18-29-23-12-11-20(17-21(22)23)30-27(33)19-7-3-2-4-8-19/h2-12,17-18,26,29H,13-16H2,1H3,(H,30,33)(H,34,35)/t26-/m0/s1