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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2,5-dimethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2,5-dimethoxyphenyl)acetamide Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O4/c1-28-18-7-8-20(29-2)19(15-18)23-21(26)16-24-13-9-17(10-14-24)22(27)25-11-5-3-4-6-12-25/h7-8,15,17H,3-6,9-14,16H2,1-2H3,(H,23,26)/p+1