N-(2-iodanylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-(2-iodanylphenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-iodophenyl)acetamide CAS Name: N-(2-iodophenyl)-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-iodophenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-(2-iodophenyl)acetamide Formula: C20H25IN3O+ MolecularWeight: 450.33647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2I)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1)CC(=O)NC2=CC=CC=C2I)CC3=CC=CC=C3

InChI

InChI=1S/C20H24IN3O/c21-18-9-4-5-10-19(18)22-20(25)16-24-12-6-11-23(13-14-24)15-17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,25)/p+1