1-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Openeye Name: 1-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide CAS Name: 1-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]-1-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-(3-methoxyphenyl)-2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethanone bromide Traditional Name: 1-(3-methoxyphenyl)-2-[4-(4-nitrobenzyl)pyridin-1-ium-1-yl]ethanone bromide Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)CC3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H19N2O4.BrH/c1-27-20-4-2-3-18(14-20)21(24)15-22-11-9-17(10-12-22)13-16-5-7-19(8-6-16)23(25)26;/h2-12,14H,13,15H2,1H3;1H/q+1;/p-1