1-(2-chloranyl-4-nitro-phenyl)-1,4-diazepan-4-ium chloride

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-1,4-diazepan-4-ium chloride Openeye Name: 1-(2-chloro-4-nitro-phenyl)-1,4-diazepan-4-ium chloride CAS Name: 1-(2-chloro-4-nitrophenyl)-1,4-diazepan-4-ium chloride IUPAC Name: 1-(2-chloro-4-nitrophenyl)-1,4-diazepan-4-ium chloride Traditional Name: 1-(2-chloro-4-nitro-phenyl)-1,4-diazepan-4-ium chloride Formula: C11H15Cl2N3O2 MolecularWeight: 292.1617

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Cl-]

InChI

InChI=1S/C11H14ClN3O2.ClH/c12-10-8-9(15(16)17)2-3-11(10)14-6-1-4-13-5-7-14;/h2-3,8,13H,1,4-7H2;1H