(E)-4-[6,6-dimethyl-2-(thiolan-1-ium-1-ylmethyl)cyclohexen-1-yl]but-3-en-2-one

Systemtic Name: (E)-4-[6,6-dimethyl-2-(thiolan-1-ium-1-ylmethyl)cyclohexen-1-yl]but-3-en-2-one Openeye Name: (E)-4-[6,6-dimethyl-2-(tetrahydrothiophen-1-ium-1-ylmethyl)cyclohexen-1-yl]but-3-en-2-one CAS Name: (E)-4-[6,6-dimethyl-2-(1-thiolan-1-iumylmethyl)-1-cyclohexenyl]-3-buten-2-one IUPAC Name: (E)-4-[6,6-dimethyl-2-(thiolan-1-ium-1-ylmethyl)cyclohexen-1-yl]but-3-en-2-one Traditional Name: (E)-4-[6,6-dimethyl-2-(tetrahydrothiophen-1-ium-1-ylmethyl)cyclohexen-1-yl]but-3-en-2-one Formula: C17H27OS+ MolecularWeight: 279.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=C(CCCC1(C)C)C[S+]2CCCC2

Isomeric SMILES

CC(=O)/C=C/C1=C(CCCC1(C)C)C[S+]2CCCC2

InChI

InChI=1S/C17H27OS/c1-14(18)8-9-16-15(7-6-10-17(16,2)3)13-19-11-4-5-12-19/h8-9H,4-7,10-13H2,1-3H3/q+1/b9-8+