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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(4-benzoxyphenyl)acetamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-26(28-24-10-12-25(13-11-24)33-21-22-8-4-3-5-9-22)20-29-18-14-23(15-19-29)27(32)30-16-6-1-2-7-17-30/h3-5,8-13,23H,1-2,6-7,14-21H2,(H,28,31)/p+1