[(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-[2,4-bis(fluoranyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]carbamate

Systemtic Name: [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-[2,4-bis(fluoranyl)phenyl]-N-[(5-methylthiophen-2-yl)methyl]carbamate Openeye Name: [(3R)-1-heptylquinuclidin-1-ium-3-yl] N-(2,4-difluorophenyl)-N-[(5-methyl-2-thienyl)methyl]carbamate CAS Name: N-(2,4-difluorophenyl)-N-[(5-methyl-2-thiophenyl)methyl]carbamic acid [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-heptyl-1-azoniabicyclo[2.2.2]octan-3-yl] N-(2,4-difluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]carbamate Traditional Name: N-(2,4-difluorophenyl)-N-[(5-methyl-2-thienyl)methyl]carbamic acid [(3R)-1-heptylquinuclidin-1-ium-3-yl] ester Formula: C27H37F2N2O2S+ MolecularWeight: 491.656686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]12CCC(CC1)C(C2)OC(=O)N(CC3=CC=C(S3)C)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)N(CC3=CC=C(S3)C)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C27H37F2N2O2S/c1-3-4-5-6-7-14-31-15-12-21(13-16-31)26(19-31)33-27(32)30(18-23-10-8-20(2)34-23)25-11-9-22(28)17-24(25)29/h8-11,17,21,26H,3-7,12-16,18-19H2,1-2H3/q+1/t21?,26-,31?/m0/s1