1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one

Systemtic Name: 1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one Openeye Name: 1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methyl-pyrrolidin-1-ium-2-one CAS Name: 1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-methyl-2-pyrrolidin-1-iumone IUPAC Name: 1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrolidin-1-ium-2-one Traditional Name: 1-(4-bromophenyl)-3-[4-(2-methoxyphenyl)piperazino]-1-methyl-pyrrolidin-1-ium-2-one Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)Br

Isomeric SMILES

C[N+]1(CCC(C1=O)N2CCN(CC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H27BrN3O2/c1-26(18-9-7-17(23)8-10-18)16-11-20(22(26)27)25-14-12-24(13-15-25)19-5-3-4-6-21(19)28-2/h3-10,20H,11-16H2,1-2H3/q+1