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

Systemtic Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(5S)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-2-pyrazolin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Formula: C22H23BrN5O2+ MolecularWeight: 469.35432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=C(C=C3)Br)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H22BrN5O2/c23-16-7-5-15(6-8-16)19-13-20(22-24-17-3-1-2-4-18(17)25-22)28(26-19)21(29)14-27-9-11-30-12-10-27/h1-8,20H,9-14H2,(H,24,25)/p+1/t20-/m0/s1