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

Systemtic Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide Openeye Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide CAS Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium bromide IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium bromide Traditional Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium bromide Formula: C27H40BrNO MolecularWeight: 474.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40NO.BrH/c1-2-3-4-5-6-13-22-29-27(23-28-20-11-8-12-21-28)26-18-16-25(17-19-26)24-14-9-7-10-15-24;/h8,11-12,16-21,24,27H,2-7,9-10,13-15,22-23H2,1H3;1H/q+1;/p-1