(2S)-1-oxidanidyl-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: (2S)-1-oxidanidyl-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-2-carboxamide Openeye Name: (2S)-1-oxido-N-(1-phenethylpyrrolidin-3-yl)quinuclidin-1-ium-2-carboxamide CAS Name: (2S)-1-oxido-N-(1-phenethyl-3-pyrrolidinyl)-1-azoniabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: (2S)-1-oxido-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-2-carboxamide Traditional Name: (2S)-1-oxido-N-(1-phenethylpyrrolidin-3-yl)quinuclidin-1-ium-2-carboxamide Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2CC3CC[N+]2(CC3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)[C@@H]2CC3CC[N+]2(CC3)[O-])CCC4=CC=CC=C4

InChI

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