1-oxidanidyl-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-4-carboxamide

Systemtic Name: 1-oxidanidyl-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-4-carboxamide Openeye Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-4-carboxamide CAS Name: 1-oxido-N-[(3S)-1-phenethyl-3-pyrrolidinyl]-1-azoniabicyclo[2.2.2]octane-4-carboxamide IUPAC Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-4-carboxamide Traditional Name: 1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-4-carboxamide Formula: C20H29N3O2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C23CC[N+](CC2)(CC3)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1NC(=O)C23CC[N+](CC2)(CC3)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C20H29N3O2/c24-19(20-8-13-23(25,14-9-20)15-10-20)21-18-7-12-22(16-18)11-6-17-4-2-1-3-5-17/h1-5,18H,6-16H2,(H,21,24)/t18-,20?,23?/m0/s1