4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-(4-chlorophenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C19H21Cl2FN3O+ MolecularWeight: 397.293943

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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=CC=C3Cl)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)NC2=CC=C(C=C2)Cl)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20Cl2FN3O/c20-14-5-7-15(8-6-14)23-19(26)25-10-2-9-24(11-12-25)13-16-17(21)3-1-4-18(16)22/h1,3-8H,2,9-13H2,(H,23,26)/p+1