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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide Formula: C22H33ClN3O4+ MolecularWeight: 438.96812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C22H32ClN3O4/c1-29-19-14-20(30-2)18(13-17(19)23)24-21(27)15-25-11-7-16(8-12-25)22(28)26-9-5-3-4-6-10-26/h13-14,16H,3-12,15H2,1-2H3,(H,24,27)/p+1