2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[(3S)-3-phenyl-1,3-dihydropyrazol-2-yl]ethanone Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-[(5S)-5-phenyl-3-pyrazolin-1-yl]ethanone Formula: C21H24ClN4O+ MolecularWeight: 383.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(C=CN2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](C=CN2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H23ClN4O/c22-18-7-4-8-19(15-18)25-13-11-24(12-14-25)16-21(27)26-20(9-10-23-26)17-5-2-1-3-6-17/h1-10,15,20,23H,11-14,16H2/p+1/t20-/m0/s1