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

Systemtic Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C[NH+]2CCCCC2)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C[NH+]2CCCCC2)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H29N3O2/c1-29-19-11-9-18(10-12-19)21(22-16-25-23-8-4-3-7-20(22)23)15-26-24(28)17-27-13-5-2-6-14-27/h3-4,7-12,16,21,25H,2,5-6,13-15,17H2,1H3,(H,26,28)/p+1/t21-/m0/s1