2-[methyl-(8-nitroisoquinolin-5-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[methyl-(8-nitroisoquinolin-5-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[methyl-(8-nitro-5-isoquinolyl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[methyl-(8-nitro-5-isoquinolinyl)amino]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[methyl-(8-nitroisoquinolin-5-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[methyl-(8-nitro-5-isoquinolyl)amino]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C17H22N5O3+ MolecularWeight: 344.38828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O3/c1-19-7-9-21(10-8-19)17(23)12-20(2)15-3-4-16(22(24)25)14-11-18-6-5-13(14)15/h3-6,11H,7-10,12H2,1-2H3/p+1