2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-yl-phenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-isopropyl-6-methyl-phenyl)acetamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C24H37N3O2/c1-18(2)21-10-8-9-19(3)23(21)25-22(28)17-26-15-11-20(12-16-26)24(29)27-13-6-4-5-7-14-27/h8-10,18,20H,4-7,11-17H2,1-3H3,(H,25,28)/p+1