[1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-dithiophen-2-yl-methanol

Systemtic Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-dithiophen-2-yl-methanol Openeye Name: [1-[(2-nitrophenyl)methyl]quinuclidin-1-ium-3-yl]-bis(2-thienyl)methanol CAS Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol IUPAC Name: [1-[(2-nitrophenyl)methyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-dithiophen-2-ylmethanol Traditional Name: [1-(2-nitrobenzyl)quinuclidin-1-ium-3-yl]-bis(2-thienyl)methanol Formula: C23H25N2O3S2+ MolecularWeight: 441.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)C(C3=CC=CS3)(C4=CC=CS4)O)CC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)C(C3=CC=CS3)(C4=CC=CS4)O)CC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C23H25N2O3S2/c26-23(21-7-3-13-29-21,22-8-4-14-30-22)19-16-25(11-9-17(19)10-12-25)15-18-5-1-2-6-20(18)24(27)28/h1-8,13-14,17,19,26H,9-12,15-16H2/q+1