2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)ethanone IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)ethanone Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)ethanone Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]34CCN(CC3)CC4

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)C[N+]34CCN(CC3)CC4

InChI

InChI=1S/C22H30N3O/c1-18-16-21(19(2)24(18)9-8-20-6-4-3-5-7-20)22(26)17-25-13-10-23(11-14-25)12-15-25/h3-7,16H,8-15,17H2,1-2H3/q+1