2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-cyclohexylphenyl)ethanone bromide

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-cyclohexylphenyl)ethanone bromide Openeye Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-cyclohexylphenyl)ethanone bromide CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-pyridin-1-iumyl]-1-(4-cyclohexylphenyl)ethanone bromide IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]pyridin-1-ium-1-yl]-1-(4-cyclohexylphenyl)ethanone bromide Traditional Name: 2-[4-(4-chlorobenzyl)pyridin-1-ium-1-yl]-1-(4-cyclohexylphenyl)ethanone bromide Formula: C26H27BrClNO MolecularWeight: 484.85568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)Cl.[Br-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=C(C=C4)Cl.[Br-]

InChI

InChI=1S/C26H27ClNO.BrH/c27-25-12-6-20(7-13-25)18-21-14-16-28(17-15-21)19-26(29)24-10-8-23(9-11-24)22-4-2-1-3-5-22;/h6-17,22H,1-5,18-19H2;1H/q+1;/p-1