N-[(3S)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]benzamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylquinuclidin-1-ium-3-yl]benzamide CAS Name: N-[(3S)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl]benzamide IUPAC Name: N-[(3S)-1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl]benzamide Traditional Name: N-[(3S)-1-benzylquinuclidin-1-ium-3-yl]benzamide Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(CCC1[C@@H](C2)NC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O/c24-21(19-9-5-2-6-10-19)22-20-16-23(13-11-18(20)12-14-23)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/p+1/t18?,20-,23?/m1/s1