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

Systemtic Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium Openeye Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium CAS Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium IUPAC Name: 1-[2-(4-cyclohexylphenyl)-2-octoxyethyl]pyridin-1-ium Traditional Name: 1-[2-(4-cyclohexylphenyl)-2-octoxy-ethyl]pyridin-1-ium Formula: C27H40NO+ MolecularWeight: 394.6126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40NO/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/q+1