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

Systemtic Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3/c1-29-19-6-4-18(5-7-19)25-12-10-24(11-13-25)16-21(27)17-14-20(23-15-17)22(28)26-8-2-3-9-26/h4-7,14-15,23H,2-3,8-13,16H2,1H3/p+1