1-(4-methoxyphenyl)-2-(4-methoxy-2-propyl-pyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-(4-methoxy-2-propyl-pyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-(4-methoxy-2-propyl-pyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(4-methoxy-2-propyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-(4-methoxy-2-propylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-(4-methoxy-2-propyl-pyridin-1-ium-1-yl)ethanone bromide Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=[N+](C=CC(=C1)OC)CC(=O)C2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

CCCC1=[N+](C=CC(=C1)OC)CC(=O)C2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C18H22NO3.BrH/c1-4-5-15-12-17(22-3)10-11-19(15)13-18(20)14-6-8-16(21-2)9-7-14;/h6-12H,4-5,13H2,1-3H3;1H/q+1;/p-1