[2,5-bis(chloranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: [2,5-bis(chloranyl)phenyl]-(1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,5-dichlorophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,5-dichlorophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,5-dichlorophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,5-dichlorophenyl)methanone Formula: C12H15Cl2N2O+ MolecularWeight: 274.1663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14Cl2N2O/c13-9-2-3-11(14)10(8-9)12(17)16-6-1-4-15-5-7-16/h2-3,8,15H,1,4-7H2/p+1