methyl 2-oxidanylidene-2-[2-[1-(phenylmethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethanoate bromide

Systemtic Name: methyl 2-oxidanylidene-2-[2-[1-(phenylmethyl)pyridin-1-ium-3-yl]-1H-indol-3-yl]ethanoate bromide Openeye Name: methyl 2-[2-(1-benzylpyridin-1-ium-3-yl)-1H-indol-3-yl]-2-oxo-acetate bromide CAS Name: 2-oxo-2-[2-[1-(phenylmethyl)-3-pyridin-1-iumyl]-1H-indol-3-yl]acetic acid methyl ester bromide IUPAC Name: methyl 2-[2-(1-benzylpyridin-1-ium-3-yl)-1H-indol-3-yl]-2-oxoacetate bromide Traditional Name: 2-[2-(1-benzylpyridin-1-ium-3-yl)-1H-indol-3-yl]-2-keto-acetic acid methyl ester bromide Formula: C23H19BrN2O3 MolecularWeight: 451.31256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)C(=O)C1=C(NC2=CC=CC=C21)C3=C[N+](=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H18N2O3.BrH/c1-28-23(27)22(26)20-18-11-5-6-12-19(18)24-21(20)17-10-7-13-25(15-17)14-16-8-3-2-4-9-16;/h2-13,15H,14H2,1H3;1H