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

Systemtic Name: 1-(4-chloranyl-2-nitro-phenyl)-1,4-diazepan-4-ium Openeye Name: 1-(4-chloro-2-nitro-phenyl)-1,4-diazepan-4-ium CAS Name: 1-(4-chloro-2-nitrophenyl)-1,4-diazepan-4-ium IUPAC Name: 1-(4-chloro-2-nitrophenyl)-1,4-diazepan-4-ium Traditional Name: 1-(4-chloro-2-nitro-phenyl)-1,4-diazepan-4-ium Formula: C11H15ClN3O2+ MolecularWeight: 256.7087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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