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

Systemtic Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline Openeye Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline CAS Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitroquinoline IUPAC Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitroquinoline Traditional Name: 8-(1,4-diazepan-4-ium-1-yl)-5-nitro-quinoline Formula: C14H17N4O2+ MolecularWeight: 273.31038

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2/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/p+1