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

Systemtic Name: [1-(3-naphthalen-2-yloxypropyl)-1-azoniabicyclo[2.2.2]octan-2-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[3-(2-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-(2-naphthalenyloxy)propyl]-1-azoniabicyclo[2.2.2]octan-2-yl] ester IUPAC Name: [1-(3-naphthalen-2-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-(2-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=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1C[N+]2(CCC1CC2OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC6=CC=CC=C6C=C5

InChI

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