1,4-diazepan-4-ium-1-yl-(2-iodanylphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2-iodanylphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2-iodophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2-iodophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2-iodophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2-iodophenyl)methanone Formula: C12H16IN2O+ MolecularWeight: 331.17271

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2I

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C12H15IN2O/c13-11-5-2-1-4-10(11)12(16)15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-9H2/p+1