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

Systemtic Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(3-cyclohexylphenyl)-2-(2-ethylhexoxy)ethyl]pyridin-1-ium bromide Formula: C27H40BrNO MolecularWeight: 474.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC=CC(=C2)C3CCCCC3.[Br-]

Isomeric SMILES

CCCCC(CC)COC(C[N+]1=CC=CC=C1)C2=CC=CC(=C2)C3CCCCC3.[Br-]

InChI

InChI=1S/C27H40NO.BrH/c1-3-5-13-23(4-2)22-29-27(21-28-18-10-7-11-19-28)26-17-12-16-25(20-26)24-14-8-6-9-15-24;/h7,10-12,16-20,23-24,27H,3-6,8-9,13-15,21-22H2,1-2H3;1H/q+1;/p-1