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

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)C3=CNC(=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O2/c1-17-6-2-3-7-20(17)25-12-10-24(11-13-25)16-21(27)18-14-19(23-15-18)22(28)26-8-4-5-9-26/h2-3,6-7,14-15,23H,4-5,8-13,16H2,1H3/p+1