1-(6-nitropyridin-3-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-nitropyridin-3-yl)-1,4-diazepan-4-ium Openeye Name: 1-(6-nitro-3-pyridyl)-1,4-diazepan-4-ium CAS Name: 1-(6-nitro-3-pyridinyl)-1,4-diazepan-4-ium IUPAC Name: 1-(6-nitropyridin-3-yl)-1,4-diazepan-4-ium Traditional Name: 1-(6-nitro-3-pyridyl)-1,4-diazepan-4-ium Formula: C10H15N4O2+ MolecularWeight: 223.2517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N4O2/c15-14(16)10-3-2-9(8-12-10)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2/p+1