3-(3-methoxyphenyl)-1-propyl-pyridin-1-ium bromide

Systemtic Name: 3-(3-methoxyphenyl)-1-propyl-pyridin-1-ium bromide Openeye Name: 3-(3-methoxyphenyl)-1-propyl-pyridin-1-ium bromide CAS Name: 3-(3-methoxyphenyl)-1-propylpyridin-1-ium bromide IUPAC Name: 3-(3-methoxyphenyl)-1-propylpyridin-1-ium bromide Traditional Name: 3-(3-methoxyphenyl)-1-propyl-pyridin-1-ium bromide Formula: C15H18BrNO MolecularWeight: 308.21352

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=CC(=C1)C2=CC(=CC=C2)OC.[Br-]

Isomeric SMILES

CCC[N+]1=CC=CC(=C1)C2=CC(=CC=C2)OC.[Br-]

InChI

InChI=1S/C15H18NO.BrH/c1-3-9-16-10-5-7-14(12-16)13-6-4-8-15(11-13)17-2;/h4-8,10-12H,3,9H2,1-2H3;1H/q+1;/p-1