6-fluoranyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 6-fluoranyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 6-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 6-fluoro-2-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 6-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 6-fluoro-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]-1H-benzimidazole Formula: C23H29FN5+ MolecularWeight: 394.508263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=NC3=C(N2)C=C(C=C3)F)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=NC3=C(N2)C=C(C=C3)F)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C23H28FN5/c24-18-8-9-21-22(15-18)26-23(25-21)17-27-10-4-7-20(16-27)29-13-11-28(12-14-29)19-5-2-1-3-6-19/h1-3,5-6,8-9,15,20H,4,7,10-14,16-17H2,(H,25,26)/p+1/t20-/m0/s1