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

Systemtic Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluorophenyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-[(2-fluorophenyl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(1H-benzimidazol-2-ylmethyl)-1-(2-fluorobenzyl)piperazin-1-ium-2-yl]ethanol Formula: C21H26FN4O+ MolecularWeight: 369.455743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH+]1CC2=CC=CC=C2F)CCO)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(C[C@@H]([NH+]1CC2=CC=CC=C2F)CCO)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H25FN4O/c22-18-6-2-1-5-16(18)13-26-11-10-25(14-17(26)9-12-27)15-21-23-19-7-3-4-8-20(19)24-21/h1-8,17,27H,9-15H2,(H,23,24)/p+1/t17-/m0/s1