5-(4-methylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline

Systemtic Name: 5-(4-methylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline Openeye Name: 5-(4-methylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-8-nitroisoquinoline IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-8-nitroisoquinoline Traditional Name: 5-(4-methylpiperazin-4-ium-1-yl)-8-nitro-isoquinoline Formula: C14H17N4O2+ MolecularWeight: 273.31038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O2/c1-16-6-8-17(9-7-16)13-2-3-14(18(19)20)12-10-15-5-4-11(12)13/h2-5,10H,6-9H2,1H3/p+1