ethyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate iodide

Systemtic Name: ethyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate iodide Openeye Name: ethyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate iodide CAS Name: 3-(1H-indol-3-yl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid ethyl ester iodide IUPAC Name: ethyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate iodide Traditional Name: 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid ethyl ester iodide Formula: C20H22IN3O3 MolecularWeight: 479.31145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C[N+](=CC=C3)C.[I-]

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C[N+](=CC=C3)C.[I-]

InChI

InChI=1S/C20H21N3O3.HI/c1-3-26-20(25)18(22-19(24)14-7-6-10-23(2)13-14)11-15-12-21-17-9-5-4-8-16(15)17;/h4-10,12-13,18,21H,3,11H2,1-2H3;1H