(1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate bromide Openeye Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-hydroxy-2,2-bis(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide Formula: C17H20BrNO3S2 MolecularWeight: 430.3796

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(C1)(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O.[Br-]

Isomeric SMILES

C[N+]12CCC(C1)(CC2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O.[Br-]

InChI

InChI=1S/C17H20NO3S2.BrH/c1-18-8-6-16(12-18,7-9-18)21-15(19)17(20,13-4-2-10-22-13)14-5-3-11-23-14;/h2-5,10-11,20H,6-9,12H2,1H3;1H/q+1;/p-1