1,4-diazepan-4-ium-1-yl-(3,4-dichlorophenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3,4-dichlorophenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3,4-dichlorophenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3,4-dichlorophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3,4-dichlorophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3,4-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=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

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