1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[1-(4-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C18H22ClN2O+ MolecularWeight: 317.83308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C(=O)C[NH+]3CCCC3

InChI

InChI=1S/C18H21ClN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3/p+1