1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide

Systemtic Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(3-chlorophenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Formula: C21H29BrClNO MolecularWeight: 426.81806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClNO.BrH/c1-3-5-10-18(4-2)17-24-21(16-23-13-7-6-8-14-23)19-11-9-12-20(22)15-19;/h6-9,11-15,18,21H,3-5,10,16-17H2,1-2H3;1H/q+1;/p-1