(2R,5R)-2,5-dimethyl-1-(phenylmethyl)thiolan-1-ium bromide

Systemtic Name: (2R,5R)-2,5-dimethyl-1-(phenylmethyl)thiolan-1-ium bromide Openeye Name: (2R,5R)-1-benzyl-2,5-dimethyl-tetrahydrothiophen-1-ium bromide CAS Name: (2R,5R)-2,5-dimethyl-1-(phenylmethyl)thiolan-1-ium bromide IUPAC Name: (2R,5R)-1-benzyl-2,5-dimethylthiolan-1-ium bromide Traditional Name: (2R,5R)-1-benzyl-2,5-dimethyl-tetrahydrothiophen-1-ium bromide Formula: C13H19BrS MolecularWeight: 287.25896

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([S+]1CC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

C[C@@H]1CC[C@H]([S+]1CC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C13H19S.BrH/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H/q+1;/p-1/t11-,12-;/m1./s1