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

Systemtic Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(4-cyclopentylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Formula: C26H38BrNO MolecularWeight: 460.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38NO.BrH/c1-3-5-11-22(4-2)21-28-26(20-27-18-9-6-10-19-27)25-16-14-24(15-17-25)23-12-7-8-13-23;/h6,9-10,14-19,22-23,26H,3-5,7-8,11-13,20-21H2,1-2H3;1H/q+1;/p-1