8-(4-methylpiperazin-4-ium-1-yl)-5,7-dinitro-quinoline

Systemtic Name: 8-(4-methylpiperazin-4-ium-1-yl)-5,7-dinitro-quinoline Openeye Name: 8-(4-methylpiperazin-4-ium-1-yl)-5,7-dinitro-quinoline CAS Name: 8-(4-methyl-1-piperazin-4-iumyl)-5,7-dinitroquinoline IUPAC Name: 8-(4-methylpiperazin-4-ium-1-yl)-5,7-dinitroquinoline Traditional Name: 8-(4-methylpiperazin-4-ium-1-yl)-5,7-dinitro-quinoline Formula: C14H16N5O4+ MolecularWeight: 318.30794

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4/c1-16-5-7-17(8-6-16)14-12(19(22)23)9-11(18(20)21)10-3-2-4-15-13(10)14/h2-4,9H,5-8H2,1H3/p+1