2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H28ClN4O2+ MolecularWeight: 415.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H27ClN4O2/c23-19-5-3-17(4-6-19)15-25-9-11-26(12-10-25)16-21(28)18-13-20(24-14-18)22(29)27-7-1-2-8-27/h3-6,13-14,24H,1-2,7-12,15-16H2/p+1