2-[4-(3-cyclohexylpropyl)pyridin-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone bromide

Systemtic Name: 2-[4-(3-cyclohexylpropyl)pyridin-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone bromide Openeye Name: 2-[4-(3-cyclohexylpropyl)pyridin-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone bromide CAS Name: 2-[4-(3-cyclohexylpropyl)-1-pyridin-1-iumyl]-1-(4-methylsulfonylphenyl)ethanone bromide IUPAC Name: 2-[4-(3-cyclohexylpropyl)pyridin-1-ium-1-yl]-1-(4-methylsulfonylphenyl)ethanone bromide Traditional Name: 2-[4-(3-cyclohexylpropyl)pyridin-1-ium-1-yl]-1-(4-mesylphenyl)ethanone bromide Formula: C23H30BrNO3S MolecularWeight: 480.4582

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCCC3CCCCC3.[Br-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)CCCC3CCCCC3.[Br-]

InChI

InChI=1S/C23H30NO3S.BrH/c1-28(26,27)22-12-10-21(11-13-22)23(25)18-24-16-14-20(15-17-24)9-5-8-19-6-3-2-4-7-19;/h10-17,19H,2-9,18H2,1H3;1H/q+1;/p-1