N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-oxidanyl-pent-3-ynamide chloride

Systemtic Name: N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-oxidanyl-pent-3-ynamide chloride Openeye Name: N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]quinuclidin-1-ium-3-yl]-2-(2-furyl)-2-hydroxy-pent-3-ynamide chloride CAS Name: N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(2-furanyl)-2-hydroxy-3-pentynamide chloride IUPAC Name: N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-2-(furan-2-yl)-2-hydroxypent-3-ynamide chloride Traditional Name: N-[(3R)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]quinuclidin-1-ium-3-yl]-2-(2-furyl)-2-hydroxy-pent-3-ynamide chloride Formula: C26H31ClN2O6 MolecularWeight: 502.98714

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1=CC=CO1)(C(=O)NC2C[N+]3(CCC2CC3)CCCOC4=CC5=C(C=C4)OCO5)O.[Cl-]

Isomeric SMILES

CC#CC(C1=CC=CO1)(C(=O)N[C@H]2C[N+]3(CCC2CC3)CCCOC4=CC5=C(C=C4)OCO5)O.[Cl-]

InChI

InChI=1S/C26H30N2O6.ClH/c1-2-10-26(30,24-5-3-14-32-24)25(29)27-21-17-28(12-8-19(21)9-13-28)11-4-15-31-20-6-7-22-23(16-20)34-18-33-22;/h3,5-7,14,16,19,21,30H,4,8-9,11-13,15,17-18H2,1H3;1H/t19?,21-,26?,28?;/m0./s1