N-(4-bromophenyl)-2-[4-(5-fluoranyl-2-methyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(5-fluoranyl-2-methyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(5-fluoro-2-methyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-(5-fluoro-2-methyl-1-benzimidazolyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(5-fluoro-2-methyl-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C21H23BrFN4O+ MolecularWeight: 446.335923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)Br)C=CC(=C2)F

Isomeric SMILES

CC1=NC2=C(N1C3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)Br)C=CC(=C2)F

InChI

InChI=1S/C21H22BrFN4O/c1-14-24-19-12-16(23)4-7-20(19)27(14)18-8-10-26(11-9-18)13-21(28)25-17-5-2-15(22)3-6-17/h2-7,12,18H,8-11,13H2,1H3,(H,25,28)/p+1