5-ethyl-1-hexadecyl-2-[(E)-2-phenylethenyl]pyridin-1-ium bromide

Systemtic Name: 5-ethyl-1-hexadecyl-2-[(E)-2-phenylethenyl]pyridin-1-ium bromide Openeye Name: 5-ethyl-1-hexadecyl-2-[(E)-styryl]pyridin-1-ium bromide CAS Name: 5-ethyl-1-hexadecyl-2-[(E)-2-phenylethenyl]pyridin-1-ium bromide IUPAC Name: 5-ethyl-1-hexadecyl-2-[(E)-2-phenylethenyl]pyridin-1-ium bromide Traditional Name: 1-cetyl-5-ethyl-2-[(E)-styryl]pyridin-1-ium bromide Formula: C31H48BrN MolecularWeight: 514.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C=CC(=C1)CC)C=CC2=CC=CC=C2.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C31H48N.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-29(4-2)23-25-31(32)26-24-30-21-18-17-19-22-30;/h17-19,21-26,28H,3-16,20,27H2,1-2H3;1H/q+1;/p-1/b26-24+;