2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(2-fluoro-4-methoxy-benzyl)piperazin-1-ium-2-yl]ethanol Formula: C22H28FN4O2+ MolecularWeight: 399.481723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCN(CC2CCO)CC3=NC4=CC=CC=C4N3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCN(C[C@@H]2CCO)CC3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C22H27FN4O2/c1-29-18-7-6-16(19(23)12-18)13-27-10-9-26(14-17(27)8-11-28)15-22-24-20-4-2-3-5-21(20)25-22/h2-7,12,17,28H,8-11,13-15H2,1H3,(H,24,25)/p+1/t17-/m0/s1