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

Systemtic Name: 4-methyl-1-oxidanidyl-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide Openeye Name: 4-methyl-1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-3-carboxamide CAS Name: 4-methyl-1-oxido-N-[(3S)-1-phenethyl-3-pyrrolidinyl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide IUPAC Name: 4-methyl-1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]-1-azoniabicyclo[2.2.2]octane-3-carboxamide Traditional Name: 4-methyl-1-oxido-N-[(3S)-1-phenethylpyrrolidin-3-yl]quinuclidin-1-ium-3-carboxamide Formula: C21H31N3O2 MolecularWeight: 357.48974

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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)N[C@H]3CCN(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/h2-6,18-19H,7-16H2,1H3,(H,22,25)/t18-,19?,21?,24?/m0/s1