3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one

Systemtic Name: 3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one Openeye Name: 3,3-dimethyl-1-(p-tolyl)-2-tetrahydrothiophen-1-ium-1-yl-butan-1-one CAS Name: 3,3-dimethyl-1-(4-methylphenyl)-2-(1-thiolan-1-iumyl)-1-butanone IUPAC Name: 3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one Traditional Name: 3,3-dimethyl-1-(p-tolyl)-2-tetrahydrothiophen-1-ium-1-yl-butan-1-one Formula: C17H25OS+ MolecularWeight: 277.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C(C)(C)C)[S+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C(C)(C)C)[S+]2CCCC2

InChI

InChI=1S/C17H25OS/c1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19/h7-10,16H,5-6,11-12H2,1-4H3/q+1