1-(4-nitrophenyl)-1,4-diazepan-4-ium

Systemtic Name: 1-(4-nitrophenyl)-1,4-diazepan-4-ium Openeye Name: 1-(4-nitrophenyl)-1,4-diazepan-4-ium CAS Name: 1-(4-nitrophenyl)-1,4-diazepan-4-ium IUPAC Name: 1-(4-nitrophenyl)-1,4-diazepan-4-ium Traditional Name: 1-(4-nitrophenyl)-1,4-diazepan-4-ium Formula: C11H16N3O2+ MolecularWeight: 222.26364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O2/c15-14(16)11-4-2-10(3-5-11)13-8-1-6-12-7-9-13/h2-5,12H,1,6-9H2/p+1