2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C22H26ClN4O+ MolecularWeight: 397.92104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O/c1-17-7-8-19(23)15-21(17)26-13-11-25(12-14-26)16-22(28)27-10-9-20(24-27)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3/p+1