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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(diphenylmethyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-benzhydryl-acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(diphenylmethyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-benzhydrylacetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-benzhydryl-acetamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c31-25(28-26(22-11-5-3-6-12-22)23-13-7-4-8-14-23)21-29-19-15-24(16-20-29)27(32)30-17-9-1-2-10-18-30/h3-8,11-14,24,26H,1-2,9-10,15-21H2,(H,28,31)/p+1