N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=N3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H31N5O2/c1-35-22-11-9-21(10-12-22)24(25-19-30-26-7-3-2-6-23(25)26)18-31-28(34)20-32-14-16-33(17-15-32)27-8-4-5-13-29-27/h2-13,19,24,30H,14-18,20H2,1H3,(H,31,34)/p+1/t24-/m0/s1