(4-methylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(2-morpholino-5-nitro-phenyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(2-morpholino-5-nitro-phenyl)methanone Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C16H22N4O4/c1-17-4-6-19(7-5-17)16(21)14-12-13(20(22)23)2-3-15(14)18-8-10-24-11-9-18/h2-3,12H,4-11H2,1H3/p+1