N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-2-oxidanyl-2,2-dithiophen-2-yl-ethanamide bromide

Systemtic Name: N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-2-oxidanyl-2,2-dithiophen-2-yl-ethanamide bromide Openeye Name: 2-hydroxy-N-(1-methylquinuclidin-1-ium-3-yl)-2,2-bis(2-thienyl)acetamide bromide CAS Name: 2-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-2,2-dithiophen-2-ylacetamide bromide IUPAC Name: 2-hydroxy-N-(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-2,2-dithiophen-2-ylacetamide bromide Traditional Name: 2-hydroxy-N-(1-methylquinuclidin-1-ium-3-yl)-2,2-bis(2-thienyl)acetamide bromide Formula: C18H23BrN2O2S2 MolecularWeight: 443.42142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)NC(=O)C(C3=CC=CS3)(C4=CC=CS4)O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)NC(=O)C(C3=CC=CS3)(C4=CC=CS4)O.[Br-]

InChI

InChI=1S/C18H22N2O2S2.BrH/c1-20-8-6-13(7-9-20)14(12-20)19-17(21)18(22,15-4-2-10-23-15)16-5-3-11-24-16;/h2-5,10-11,13-14,22H,6-9,12H2,1H3;1H