[1-[9-[[2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]-1-azoniabicyclo[2.2.2]octan-4-yl] N-(2-phenylphenyl)carbamate

Systemtic Name: [1-[9-[[2-oxidanyl-2-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)ethyl]amino]nonyl]-1-azoniabicyclo[2.2.2]octan-4-yl] N-(2-phenylphenyl)carbamate Openeye Name: [1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]quinuclidin-1-ium-4-yl] N-(2-phenylphenyl)carbamate CAS Name: N-(2-phenylphenyl)carbamic acid [1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-[9-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]nonyl]-1-azoniabicyclo[2.2.2]octan-4-yl] N-(2-phenylphenyl)carbamate Traditional Name: N-(2-phenylphenyl)carbamic acid [1-[9-[[2-hydroxy-2-(8-hydroxy-2-keto-1H-quinolin-5-yl)ethyl]amino]nonyl]quinuclidin-1-ium-4-yl] ester Formula: C40H51N4O5+ MolecularWeight: 667.85674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)CCCCCCCCCNCC(C5=C6C=CC(=O)NC6=C(C=C5)O)O

Isomeric SMILES

C1C[N+]2(CCC1(CC2)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4)CCCCCCCCCNCC(C5=C6C=CC(=O)NC6=C(C=C5)O)O

InChI

InChI=1S/C40H50N4O5/c45-35-19-17-32(33-18-20-37(47)43-38(33)35)36(46)29-41-24-11-4-2-1-3-5-12-25-44-26-21-40(22-27-44,23-28-44)49-39(48)42-34-16-10-9-15-31(34)30-13-7-6-8-14-30/h6-10,13-20,36,41,46H,1-5,11-12,21-29H2,(H2-,42,43,45,47,48)/p+1