4-methyl-1-oxidanyl-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide

Systemtic Name: 4-methyl-1-oxidanyl-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide Openeye Name: 1-hydroxy-4-methyl-N-(1-phenethylpyrrolidin-3-yl)quinuclidin-1-ium-3-carboxamide CAS Name: 1-hydroxy-4-methyl-N-(1-phenethyl-3-pyrrolidinyl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide IUPAC Name: 1-hydroxy-4-methyl-N-(1-phenethylpyrrolidin-3-yl)-1-azoniabicyclo[2.2.2]octane-3-carboxamide Traditional Name: 1-hydroxy-4-methyl-N-(1-phenethylpyrrolidin-3-yl)quinuclidin-1-ium-3-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC[N+](CC1)(CC2C(=O)NC3CCN(C3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC12CC[N+](CC1)(CC2C(=O)NC3CCN(C3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C21H31N3O2/c1-21-9-13-24(26,14-10-21)16-19(21)20(25)22-18-8-12-23(15-18)11-7-17-5-3-2-4-6-17/h2-6,18-19,26H,7-16H2,1H3/p+1