1-oxidanidyl-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide Openeye Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[(3S)-1-phenethyl-3-pyrrolidinyl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide IUPAC Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide Traditional Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-3-carboxamide Formula: C20H29N3O2 MolecularWeight: 343.46316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2C[N+]3(CCC2CC3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1NC(=O)C2C[N+]3(CCC2CC3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C20H29N3O2/c24-20(19-15-23(25)12-8-17(19)9-13-23)21-18-7-11-22(14-18)10-6-16-4-2-1-3-5-16/h1-5,17-19H,6-15H2,(H,21,24)/t17?,18-,19?,23?/m0/s1