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

Systemtic Name: 4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(2-chloro-6-fluoro-phenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(2-chloro-6-fluorophenyl)methyl]-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(2-chloro-6-fluoro-benzyl)-N-phenyl-1,4-diazepan-4-ium-1-carboxamide Formula: C19H22ClFN3O+ MolecularWeight: 362.848883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O/c20-17-8-4-9-18(21)16(17)14-23-10-5-11-24(13-12-23)19(25)22-15-6-2-1-3-7-15/h1-4,6-9H,5,10-14H2,(H,22,25)/p+1