[1-(3-naphthalen-1-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-(3-naphthalen-1-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[3-(1-naphthyloxy)propyl]quinuclidin-1-ium-2-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-[3-(1-naphthalenyloxy)propyl]-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-naphthalen-1-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-[3-(1-naphthoxy)propyl]quinuclidin-1-ium-2-yl] ester Formula: C30H32NO4S2+ MolecularWeight: 534.70938

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC6=CC=CC=C65

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C30H32NO4S2/c32-29(30(33,26-11-4-19-36-26)27-12-5-20-37-27)35-28-21-22-13-16-31(28,17-14-22)15-6-18-34-25-10-3-8-23-7-1-2-9-24(23)25/h1-5,7-12,19-20,22,28,33H,6,13-18,21H2/q+1