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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-p-phenetyl-acetamide Formula: C22H34N3O3+ MolecularWeight: 388.52366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O3/c1-2-28-20-9-7-19(8-10-20)23-21(26)17-24-15-11-18(12-16-24)22(27)25-13-5-3-4-6-14-25/h7-10,18H,2-6,11-17H2,1H3,(H,23,26)/p+1