2-(azepan-1-ium-1-yl)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(2,6-dichloro-3-methyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(2,6-dichloro-3-methylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(2,6-dichloro-3-methyl-phenyl)acetamide Formula: C15H21Cl2N2O+ MolecularWeight: 316.24604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCCCCC2)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)C[NH+]2CCCCCC2)Cl

InChI

InChI=1S/C15H20Cl2N2O/c1-11-6-7-12(16)15(14(11)17)18-13(20)10-19-8-4-2-3-5-9-19/h6-7H,2-5,8-10H2,1H3,(H,18,20)/p+1