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1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide

1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide

Systemtic Name:1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
Openeye Name:1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
CAS Name:1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
IUPAC Name:1-[2-(4-cyclopentylphenyl)-2-octoxyethyl]pyridin-1-ium bromide
Traditional Name:1-[2-(4-cyclopentylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide
Formula: C26H38BrNO
MolecularWeight: 460.49002
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3.[Br-]


Isomeric SMILES

CCCCCCCCOC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)C3CCCC3.[Br-]


InChI

InChI=1S/C26H38NO.BrH/c1-2-3-4-5-6-12-21-28-26(22-27-19-10-7-11-20-27)25-17-15-24(16-18-25)23-13-8-9-14-23;/h7,10-11,15-20,23,26H,2-6,8-9,12-14,21-22H2,1H3;1H/q+1;/p-1


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