2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide

Systemtic Name: 2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide Openeye Name: 2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide CAS Name: 2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-(1-pyridin-1-iumyl)ethanol bromide IUPAC Name: 2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-pyridin-1-ium-1-ylethanol bromide Traditional Name: 2-(4-methoxyphenyl)-1-(2-nitrophenyl)-2-pyridin-1-ium-1-yl-ethanol bromide Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C2=CC=CC=C2[N+](=O)[O-])O)[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C2=CC=CC=C2[N+](=O)[O-])O)[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H19N2O4.BrH/c1-26-16-11-9-15(10-12-16)19(21-13-5-2-6-14-21)20(23)17-7-3-4-8-18(17)22(24)25;/h2-14,19-20,23H,1H3;1H/q+1;/p-1