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

Systemtic Name: 1-[(3R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-5-(1H-benzimidazol-2-yl)-3-(4-bromophenyl)-1,3-dihydropyrazol-2-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-3-(1H-benzimidazol-2-yl)-5-(4-bromophenyl)-3-pyrazolin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Formula: C23H25BrN5O+ MolecularWeight: 467.3815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2C(C=C(N2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2[C@H](C=C(N2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)Br

InChI

InChI=1S/C23H24BrN5O/c24-17-10-8-16(9-11-17)21-14-20(23-25-18-6-2-3-7-19(18)26-23)27-29(21)22(30)15-28-12-4-1-5-13-28/h2-3,6-11,14,21,27H,1,4-5,12-13,15H2,(H,25,26)/p+1/t21-/m1/s1