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

Systemtic Name: 6-fluoranyl-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Openeye Name: 6-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]-1H-benzimidazole CAS Name: 6-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]-1H-benzimidazole IUPAC Name: 6-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]-1H-benzimidazole Traditional Name: 6-fluoro-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]methyl]-1H-benzimidazole Formula: C24H31FN5O+ MolecularWeight: 424.534243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=NC5=C(N4)C=C(C=C5)F

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=NC5=C(N4)C=C(C=C5)F

InChI

InChI=1S/C24H30FN5O/c1-31-23-7-3-2-6-22(23)30-13-11-29(12-14-30)19-5-4-10-28(16-19)17-24-26-20-9-8-18(25)15-21(20)27-24/h2-3,6-9,15,19H,4-5,10-14,16-17H2,1H3,(H,26,27)/p+1/t19-/m0/s1