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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-isopropylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-o-cumenyl-acetamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H35N3O2/c1-18(2)20-9-5-6-10-21(20)24-22(27)17-25-15-11-19(12-16-25)23(28)26-13-7-3-4-8-14-26/h5-6,9-10,18-19H,3-4,7-8,11-17H2,1-2H3,(H,24,27)/p+1