1-(2-chloranyl-6-nitro-phenyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(2-chloranyl-6-nitro-phenyl)-1,4-diazepan-4-ium Openeye Name: 1-(2-chloro-6-nitro-phenyl)-1,4-diazepan-4-ium CAS Name: 1-(2-chloro-6-nitrophenyl)-1,4-diazepan-4-ium IUPAC Name: 1-(2-chloro-6-nitrophenyl)-1,4-diazepan-4-ium Traditional Name: 1-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClN3O2/c12-9-3-1-4-10(15(16)17)11(9)14-7-2-5-13-6-8-14/h1,3-4,13H,2,5-8H2/p+1