3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethyl-piperidin-1-ium bromide hydrate

Systemtic Name: 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethyl-piperidin-1-ium bromide hydrate Openeye Name: 3-[bis(2-thienyl)methylene]-5-methoxy-1,1-dimethyl-piperidin-1-ium bromide hydrate CAS Name: 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium bromide hydrate IUPAC Name: 3-(dithiophen-2-ylmethylidene)-5-methoxy-1,1-dimethylpiperidin-1-ium bromide hydrate Traditional Name: 3-[bis(2-thienyl)methylene]-5-methoxy-1,1-dimethyl-piperidin-1-ium bromide hydrate Formula: C17H24BrNO2S2 MolecularWeight: 418.41196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.O.[Br-]

Isomeric SMILES

C[N+]1(CC(CC(=C(C2=CC=CS2)C3=CC=CS3)C1)OC)C.O.[Br-]

InChI

InChI=1S/C17H22NOS2.BrH.H2O/c1-18(2)11-13(10-14(12-18)19-3)17(15-6-4-8-20-15)16-7-5-9-21-16;;/h4-9,14H,10-12H2,1-3H3;1H;1H2/q+1;;/p-1