2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide Formula: C28H38N3O2+ MolecularWeight: 448.62022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C28H37N3O2/c1-22(23-11-13-25(14-12-23)24-9-5-4-6-10-24)29-27(32)21-30-19-15-26(16-20-30)28(33)31-17-7-2-3-8-18-31/h4-6,9-14,22,26H,2-3,7-8,15-21H2,1H3,(H,29,32)/p+1/t22-/m1/s1