1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium bromide

Systemtic Name: 1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium bromide Openeye Name: 1-octadecyl-4-[(E)-styryl]pyridin-1-ium bromide CAS Name: 1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium bromide IUPAC Name: 1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium bromide Traditional Name: 1-stearyl-4-[(E)-styryl]pyridin-1-ium bromide Formula: C31H48BrN MolecularWeight: 514.62352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-32-28-25-31(26-29-32)24-23-30-21-18-17-19-22-30;/h17-19,21-26,28-29H,2-16,20,27H2,1H3;1H/q+1;/p-1/b24-23+;