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

Systemtic Name: (2-iodanylphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-iodophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-iodophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-iodophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-iodophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H18IN2O+ MolecularWeight: 345.19929

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC=CC=C2I

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC=CC=C2I

InChI

InChI=1S/C13H17IN2O/c1-15-7-4-8-16(10-9-15)13(17)11-5-2-3-6-12(11)14/h2-3,5-6H,4,7-10H2,1H3/p+1