[2,6-bis(chloranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [2,6-bis(chloranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,6-dichlorophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,6-dichlorophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,6-dichlorophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,6-dichlorophenyl)methanone Formula: C12H15Cl2N2O+ MolecularWeight: 274.1663

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H14Cl2N2O/c13-9-3-1-4-10(14)11(9)12(17)16-7-2-5-15-6-8-16/h1,3-4,15H,2,5-8H2/p+1