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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(4-isopropylphenyl)ethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-p-cumenylethyl)acetamide Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O2/c1-20(2)22-9-7-21(8-10-22)11-14-26-24(29)19-27-17-12-23(13-18-27)25(30)28-15-5-3-4-6-16-28/h7-10,20,23H,3-6,11-19H2,1-2H3,(H,26,29)/p+1