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1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide

1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide

Systemtic Name:1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
Openeye Name:1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
CAS Name:1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
IUPAC Name:1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
Traditional Name:1-[2-butoxy-2-(4-octylphenyl)ethyl]pyridin-1-ium bromide
Formula: C25H38BrNO
MolecularWeight: 448.47932
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCCCC.[Br-]


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(C[N+]2=CC=CC=C2)OCCCC.[Br-]


InChI

InChI=1S/C25H38NO.BrH/c1-3-5-7-8-9-11-14-23-15-17-24(18-16-23)25(27-21-6-4-2)22-26-19-12-10-13-20-26;/h10,12-13,15-20,25H,3-9,11,14,21-22H2,1-2H3;1H/q+1;/p-1


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