1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(2-ethylhexoxy)-2-(4-hexylphenyl)ethyl]pyridin-1-ium bromide Formula: C27H42BrNO MolecularWeight: 476.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCC(CC)CCCC.[Br-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCC(CC)CCCC.[Br-]

InChI

InChI=1S/C27H42NO.BrH/c1-4-7-9-11-15-25-16-18-26(19-17-25)27(22-28-20-12-10-13-21-28)29-23-24(6-3)14-8-5-2;/h10,12-13,16-21,24,27H,4-9,11,14-15,22-23H2,1-3H3;1H/q+1;/p-1