2-[(3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole

Systemtic Name: 2-[(3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Openeye Name: 2-[(3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole CAS Name: 2-[(3S)-1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]-1H-benzimidazole IUPAC Name: 2-[(3S)-1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Traditional Name: 2-[(3S)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-1H-benzimidazole Formula: C23H25FN5+ MolecularWeight: 390.476503

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)C[NH+]3CCC[C@@H](C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H24FN5/c1-28-13-17(22(27-28)18-8-2-3-9-19(18)24)15-29-12-6-7-16(14-29)23-25-20-10-4-5-11-21(20)26-23/h2-5,8-11,13,16H,6-7,12,14-15H2,1H3,(H,25,26)/p+1/t16-/m0/s1