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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O2/c1-18(2)19-7-9-21(10-8-19)24-22(27)17-25-15-11-20(12-16-25)23(28)26-13-5-3-4-6-14-26/h7-10,18,20H,3-6,11-17H2,1-2H3,(H,24,27)/p+1