N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-(azepan-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-azanyl-4,6-bis(chloranyl)phenyl]-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(2-amino-4,6-dichloro-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(2-amino-4,6-dichlorophenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(2-amino-4,6-dichlorophenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(2-amino-4,6-dichloro-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C14H20Cl2N3O+ MolecularWeight: 317.2341

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2N)Cl)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2N)Cl)Cl

InChI

InChI=1S/C14H19Cl2N3O/c15-10-7-11(16)14(12(17)8-10)18-13(20)9-19-5-3-1-2-4-6-19/h7-8H,1-6,9,17H2,(H,18,20)/p+1