2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C23H34ClN4O3+ MolecularWeight: 449.99406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H33ClN4O3/c1-17-19(24)7-6-8-20(17)26-21(29)15-25-22(30)16-27-13-9-18(10-14-27)23(31)28-11-4-2-3-5-12-28/h6-8,18H,2-5,9-16H2,1H3,(H,25,30)(H,26,29)/p+1