(1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl)-dithiophen-2-yl-methanol dihydrate

Systemtic Name: (1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl)-dithiophen-2-yl-methanol dihydrate Openeye Name: (1-oxidoquinuclidin-1-ium-3-yl)-bis(2-thienyl)methanol dihydrate CAS Name: (1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl)-dithiophen-2-ylmethanol dihydrate IUPAC Name: (1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl)-dithiophen-2-ylmethanol dihydrate Traditional Name: (1-oxidoquinuclidin-1-ium-3-yl)-bis(2-thienyl)methanol dihydrate Formula: C16H23NO4S2 MolecularWeight: 357.48812

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)C(C3=CC=CS3)(C4=CC=CS4)O)[O-].O.O

Isomeric SMILES

C1C[N+]2(CCC1C(C2)C(C3=CC=CS3)(C4=CC=CS4)O)[O-].O.O

InChI

InChI=1S/C16H19NO2S2.2H2O/c18-16(14-3-1-9-20-14,15-4-2-10-21-15)13-11-17(19)7-5-12(13)6-8-17;;/h1-4,9-10,12-13,18H,5-8,11H2;2*1H2