2-(azepan-1-ium-1-yl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-chloro-2,5-dimethoxy-phenyl)acetamide Formula: C16H24ClN2O3+ MolecularWeight: 327.82636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCCCCC2)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCCCCC2)OC)Cl

InChI

InChI=1S/C16H23ClN2O3/c1-21-14-10-13(15(22-2)9-12(14)17)18-16(20)11-19-7-5-3-4-6-8-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)/p+1