N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide Openeye Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide CAS Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide IUPAC Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide Traditional Name: N-[[(3R)-1-[2-(4-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3H-benzimidazole-5-carboxamide Formula: C23H28FN4O+ MolecularWeight: 395.493023

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C23H27FN4O/c1-27(23(29)19-6-9-21-22(13-19)26-16-25-21)14-18-3-2-11-28(15-18)12-10-17-4-7-20(24)8-5-17/h4-9,13,16,18H,2-3,10-12,14-15H2,1H3,(H,25,26)/p+1/t18-/m1/s1