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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[(1-methylpyridin-1-ium-3-carbonyl)amino]propionic acid methyl ester Formula: C19H20N3O3+ MolecularWeight: 338.3804

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H19N3O3/c1-22-9-5-6-13(12-22)18(23)21-17(19(24)25-2)10-14-11-20-16-8-4-3-7-15(14)16/h3-9,11-12,17,20H,10H2,1-2H3/p+1