methanoic acid; 9-oxidanyl-N-[(3R)-1-(3-phenylsulfanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]fluorene-9-carboxamide

Systemtic Name: methanoic acid; 9-oxidanyl-N-[(3R)-1-(3-phenylsulfanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]fluorene-9-carboxamide Openeye Name: formic acid; 9-hydroxy-N-[(3R)-1-(3-phenylsulfanylpropyl)quinuclidin-1-ium-3-yl]fluorene-9-carboxamide CAS Name: formic acid; 9-hydroxy-N-[(3R)-1-[3-(phenylthio)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl]-9-fluorenecarboxamide IUPAC Name: formic acid; 9-hydroxy-N-[(3R)-1-(3-phenylsulfanylpropyl)-1-azoniabicyclo[2.2.2]octan-3-yl]fluorene-9-carboxamide Traditional Name: formic acid; 9-hydroxy-N-[(3R)-1-[3-(phenylthio)propyl]quinuclidin-1-ium-3-yl]fluorene-9-carboxamide Formula: C31H35N2O4S+ MolecularWeight: 531.6856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCSC6=CC=CC=C6.C(=O)O

Isomeric SMILES

C1C[N+]2(CCC1[C@H](C2)NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)O)CCCSC6=CC=CC=C6.C(=O)O

InChI

InChI=1S/C30H32N2O2S.CH2O2/c33-29(30(34)26-13-6-4-11-24(26)25-12-5-7-14-27(25)30)31-28-21-32(18-15-22(28)16-19-32)17-8-20-35-23-9-2-1-3-10-23;2-1-3/h1-7,9-14,22,28,34H,8,15-21H2;1H,(H,2,3)/p+1/t22?,28-,32?;/m0./s1