2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-chloranyl-4,6-dimethyl-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-chloro-4,6-dimethyl-phenyl)acetamide Formula: C22H33ClN3O2+ MolecularWeight: 406.96932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C22H32ClN3O2/c1-16-13-17(2)21(19(23)14-16)24-20(27)15-25-11-7-18(8-12-25)22(28)26-9-5-3-4-6-10-26/h13-14,18H,3-12,15H2,1-2H3,(H,24,27)/p+1