4-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(4-fluorophenyl)-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=C(C=C2)F)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O/c20-16-4-2-15(3-5-16)14-23-10-1-11-24(13-12-23)19(25)22-18-8-6-17(21)7-9-18/h2-9H,1,10-14H2,(H,22,25)/p+1