8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline chloride

Systemtic Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline chloride Openeye Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline chloride CAS Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitroquinoline chloride IUPAC Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitroquinoline chloride Traditional Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline chloride Formula: C14H17ClN4O2 MolecularWeight: 308.76338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3.[Cl-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3.[Cl-]

InChI

InChI=1S/C14H16N4O2.ClH/c19-18(20)12-4-5-13(14-11(12)3-1-7-16-14)17-9-2-6-15-8-10-17;/h1,3-5,7,15H,2,6,8-10H2;1H