(8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl) ester bromide Formula: C19H22BrNO3S2 MolecularWeight: 456.41688

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1C=C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.[Br-]

Isomeric SMILES

C[N+]1(C2CC(CC1C=C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)C.[Br-]

InChI

InChI=1S/C19H22NO3S2.BrH/c1-20(2)13-7-8-14(20)12-15(11-13)23-18(21)19(22,16-5-3-9-24-16)17-6-4-10-25-17;/h3-10,13-15,22H,11-12H2,1-2H3;1H/q+1;/p-1