N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[4-(4-fluorophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(4-chlorophenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(4-chlorophenyl)-2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C20H22ClFN3O2+ MolecularWeight: 390.858983

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClFN3O2/c21-16-4-8-18(9-5-16)23-19(26)14-24-10-1-11-25(13-12-24)20(27)15-2-6-17(22)7-3-15/h2-9H,1,10-14H2,(H,23,26)/p+1