4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-bromo-2-fluorophenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-bromo-2-fluoro-benzyl)-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H21BrClFN3O+ MolecularWeight: 441.744943

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H20BrClFN3O/c20-15-3-2-14(18(22)12-15)13-24-8-1-9-25(11-10-24)19(26)23-17-6-4-16(21)5-7-17/h2-7,12H,1,8-11,13H2,(H,23,26)/p+1