1-hexadecyl-4-(2-phenylethenyl)pyridin-1-ium bromide

Systemtic Name: 1-hexadecyl-4-(2-phenylethenyl)pyridin-1-ium bromide Openeye Name: 1-hexadecyl-4-styryl-pyridin-1-ium bromide CAS Name: 1-hexadecyl-4-(2-phenylethenyl)pyridin-1-ium bromide IUPAC Name: 1-hexadecyl-4-(2-phenylethenyl)pyridin-1-ium bromide Traditional Name: 1-cetyl-4-styryl-pyridin-1-ium bromide Formula: C29H44BrN MolecularWeight: 486.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-30-26-23-29(24-27-30)22-21-28-19-16-15-17-20-28;/h15-17,19-24,26-27H,2-14,18,25H2,1H3;1H/q+1;/p-1