1-[(3S)-3-(1H-benzimidazol-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5S)-5-(1H-benzimidazol-2-yl)-3-phenyl-2-pyrazolin-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C23H27N6O+ MolecularWeight: 403.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H26N6O/c1-27-11-13-28(14-12-27)16-22(30)29-21(15-20(26-29)17-7-3-2-4-8-17)23-24-18-9-5-6-10-19(18)25-23/h2-10,21H,11-16H2,1H3,(H,24,25)/p+1/t21-/m0/s1