1-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one bromide

Systemtic Name: 1-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Openeye Name: 1-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one bromide CAS Name: 1-[5-[2-[(4-tert-butylphenyl)thio]ethyl]-2-methyl-1-pyridin-1-iumyl]-3,3-dimethyl-2-butanone bromide IUPAC Name: 1-[5-[2-(4-tert-butylphenyl)sulfanylethyl]-2-methylpyridin-1-ium-1-yl]-3,3-dimethylbutan-2-one bromide Traditional Name: 1-[5-[2-[(4-tert-butylphenyl)thio]ethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one bromide Formula: C24H34BrNOS MolecularWeight: 464.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCSC2=CC=C(C=C2)C(C)(C)C)CC(=O)C(C)(C)C.[Br-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCSC2=CC=C(C=C2)C(C)(C)C)CC(=O)C(C)(C)C.[Br-]

InChI

InChI=1S/C24H34NOS.BrH/c1-18-8-9-19(16-25(18)17-22(26)24(5,6)7)14-15-27-21-12-10-20(11-13-21)23(2,3)4;/h8-13,16H,14-15,17H2,1-7H3;1H/q+1;/p-1