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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(2-pyrrolidinophenyl)acetamide Formula: C24H37N4O2+ MolecularWeight: 413.57618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3N4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C24H36N4O2/c29-23(25-21-9-3-4-10-22(21)27-13-7-8-14-27)19-26-17-11-20(12-18-26)24(30)28-15-5-1-2-6-16-28/h3-4,9-10,20H,1-2,5-8,11-19H2,(H,25,29)/p+1