2-(azepan-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2,4,5-tris(chloranyl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2,4,5-trichlorophenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2,4,5-trichlorophenyl)acetamide Formula: C14H18Cl3N2O+ MolecularWeight: 336.66452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C14H17Cl3N2O/c15-10-7-12(17)13(8-11(10)16)18-14(20)9-19-5-3-1-2-4-6-19/h7-8H,1-6,9H2,(H,18,20)/p+1