(E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one bromide

Systemtic Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one bromide Openeye Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one bromide CAS Name: (E)-3-(1-dodecyl-4-pyridin-1-iumyl)-1-phenyl-2-propen-1-one bromide IUPAC Name: (E)-3-(1-dodecylpyridin-1-ium-4-yl)-1-phenylprop-2-en-1-one bromide Traditional Name: (E)-3-(1-laurylpyridin-1-ium-4-yl)-1-phenyl-prop-2-en-1-one bromide Formula: C26H36BrNO MolecularWeight: 458.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36NO.BrH/c1-2-3-4-5-6-7-8-9-10-14-21-27-22-19-24(20-23-27)17-18-26(28)25-15-12-11-13-16-25;/h11-13,15-20,22-23H,2-10,14,21H2,1H3;1H/q+1;/p-1/b18-17+;