2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O3/c1-17(26)18-6-8-20(9-7-18)23-21(27)16-24-14-10-19(11-15-24)22(28)25-12-4-2-3-5-13-25/h6-9,19H,2-5,10-16H2,1H3,(H,23,27)/p+1