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1-oct-7-enyl-3-[12-(oxan-2-yloxy)dodecyl]pyridin-1-ium bromide

1-oct-7-enyl-3-[12-(oxan-2-yloxy)dodecyl]pyridin-1-ium bromide

Systemtic Name:1-oct-7-enyl-3-[12-(oxan-2-yloxy)dodecyl]pyridin-1-ium bromide
Openeye Name:1-oct-7-enyl-3-(12-tetrahydropyran-2-yloxydodecyl)pyridin-1-ium bromide
CAS Name:1-oct-7-enyl-3-[12-(2-oxanyloxy)dodecyl]pyridin-1-ium bromide
IUPAC Name:1-oct-7-enyl-3-[12-(oxan-2-yloxy)dodecyl]pyridin-1-ium bromide
Traditional Name:1-oct-7-enyl-3-(12-tetrahydropyran-2-yloxydodecyl)pyridin-1-ium bromide
Formula: C30H52BrNO2
MolecularWeight: 538.64338
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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCCOC2CCCCO2.[Br-]


Isomeric SMILES

C=CCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCCOC2CCCCO2.[Br-]


InChI

InChI=1S/C30H52NO2.BrH/c1-2-3-4-5-13-17-24-31-25-20-22-29(28-31)21-15-12-10-8-6-7-9-11-14-18-26-32-30-23-16-19-27-33-30;/h2,20,22,25,28,30H,1,3-19,21,23-24,26-27H2;1H/q+1;/p-1


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