[4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(3-iodanylphenyl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(3-iodanylphenyl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(3-iodophenyl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(3-iodophenyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-(3-iodophenyl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-4-ium-1-yl]-(3-iodophenyl)methanone Formula: C19H21FIN2O+ MolecularWeight: 439.285713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)I)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC(=CC=C2)I)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H20FIN2O/c20-17-7-5-15(6-8-17)14-22-9-2-10-23(12-11-22)19(24)16-3-1-4-18(21)13-16/h1,3-8,13H,2,9-12,14H2/p+1