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

Systemtic Name: 1-[5-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[5-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methyl-1-pyridin-1-iumyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methylpyridin-1-ium-1-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[5-[2-(4-tert-butylphenyl)sulfonylethyl]-2-methyl-pyridin-1-ium-1-yl]-3,3-dimethyl-butan-2-one Formula: C24H34NO3S+ MolecularWeight: 416.59666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=[N+](C=C(C=C1)CCS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)CC(=O)C(C)(C)C

InChI

InChI=1S/C24H34NO3S/c1-18-8-9-19(16-25(18)17-22(26)24(5,6)7)14-15-29(27,28)21-12-10-20(11-13-21)23(2,3)4/h8-13,16H,14-15,17H2,1-7H3/q+1