2-bromanyl-5-fluoranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-bromanyl-5-fluoranyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-bromo-5-fluoro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-bromo-5-fluoro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-bromo-5-fluoro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-bromo-5-fluoro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H23BrFN2O+ MolecularWeight: 406.311823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O/c21-19-9-8-17(22)12-18(19)20(25)23-13-15-4-6-16(7-5-15)14-24-10-2-1-3-11-24/h4-9,12H,1-3,10-11,13-14H2,(H,23,25)/p+1