1-butyl-2-(phenylmethyl)pyridin-1-ium bromide

Systemtic Name: 1-butyl-2-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 2-benzyl-1-butyl-pyridin-1-ium bromide CAS Name: 1-butyl-2-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 2-benzyl-1-butylpyridin-1-ium bromide Traditional Name: 2-benzyl-1-butyl-pyridin-1-ium bromide Formula: C16H20BrN MolecularWeight: 306.2407

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H20N.BrH/c1-2-3-12-17-13-8-7-11-16(17)14-15-9-5-4-6-10-15;/h4-11,13H,2-3,12,14H2,1H3;1H/q+1;/p-1