(1-octadecylpyridin-1-ium-4-yl)-phenyl-methanone bromide

Systemtic Name: (1-octadecylpyridin-1-ium-4-yl)-phenyl-methanone bromide Openeye Name: (1-octadecylpyridin-1-ium-4-yl)-phenyl-methanone bromide CAS Name: (1-octadecyl-4-pyridin-1-iumyl)-phenylmethanone bromide IUPAC Name: (1-octadecylpyridin-1-ium-4-yl)-phenylmethanone bromide Traditional Name: phenyl-(1-stearylpyridin-1-ium-4-yl)methanone bromide Formula: C30H46BrNO MolecularWeight: 516.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C30H46NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-31-26-23-29(24-27-31)30(32)28-21-18-17-19-22-28;/h17-19,21-24,26-27H,2-16,20,25H2,1H3;1H/q+1;/p-1