N-(4-methylpiperazin-4-ium-1-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-morpholino-5-nitro-benzamide Formula: C16H24N5O4+ MolecularWeight: 350.39286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O4/c1-18-4-6-20(7-5-18)17-16(22)14-12-13(21(23)24)2-3-15(14)19-8-10-25-11-9-19/h2-3,12H,4-11H2,1H3,(H,17,22)/p+1