1-(3,4-dimethylphenyl)-3-methyl-2-(thiolan-1-ium-1-yl)butan-1-one

Systemtic Name: 1-(3,4-dimethylphenyl)-3-methyl-2-(thiolan-1-ium-1-yl)butan-1-one Openeye Name: 1-(3,4-dimethylphenyl)-3-methyl-2-tetrahydrothiophen-1-ium-1-yl-butan-1-one CAS Name: 1-(3,4-dimethylphenyl)-3-methyl-2-(1-thiolan-1-iumyl)-1-butanone IUPAC Name: 1-(3,4-dimethylphenyl)-3-methyl-2-(thiolan-1-ium-1-yl)butan-1-one Traditional Name: 1-(3,4-dimethylphenyl)-3-methyl-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=C(C=C(C=C1)C(=O)C(C(C)C)[S+]2CCCC2)C

Isomeric SMILES

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

InChI

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