2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-ethylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-ethylphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(3-ethylphenyl)acetamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O2/c1-2-18-8-7-9-20(16-18)23-21(26)17-24-14-10-19(11-15-24)22(27)25-12-5-3-4-6-13-25/h7-9,16,19H,2-6,10-15,17H2,1H3,(H,23,26)/p+1