4-(3,5-dimethylphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane

Systemtic Name: 4-(3,5-dimethylphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane Openeye Name: 1-benzyl-4-(3,5-dimethylphenyl)quinuclidin-1-ium CAS Name: 4-(3,5-dimethylphenyl)-1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane IUPAC Name: 1-benzyl-4-(3,5-dimethylphenyl)-1-azoniabicyclo[2.2.2]octane Traditional Name: 1-benzyl-4-(3,5-dimethylphenyl)quinuclidin-1-ium Formula: C22H28N+ MolecularWeight: 306.46442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C23CC[N+](CC2)(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C23CC[N+](CC2)(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H28N/c1-18-14-19(2)16-21(15-18)22-8-11-23(12-9-22,13-10-22)17-20-6-4-3-5-7-20/h3-7,14-16H,8-13,17H2,1-2H3/q+1