3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone

Systemtic Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: 3H-benzimidazol-5-yl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C23H27FN5O+ MolecularWeight: 408.491783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)N=CN3)[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H26FN5O/c24-18-4-6-19(7-5-18)27-10-12-28(13-11-27)20-2-1-9-29(15-20)23(30)17-3-8-21-22(14-17)26-16-25-21/h3-8,14,16,20H,1-2,9-13,15H2,(H,25,26)/p+1/t20-/m0/s1