2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-morpholin-4-yl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-morpholin-4-yl-2-nitro-phenyl)ethanamide Openeye Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-morpholino-2-nitro-phenyl)acetamide CAS Name: 2-(4-methyl-1-piperazine-1,4-diiumyl)-N-[5-(4-morpholinyl)-2-nitrophenyl]acetamide IUPAC Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-morpholin-4-yl-2-nitrophenyl)acetamide Traditional Name: 2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-morpholino-2-nitro-phenyl)acetamide Formula: C17H27N5O4+2 MolecularWeight: 365.42738

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4/c1-19-4-6-20(7-5-19)13-17(23)18-15-12-14(2-3-16(15)22(24)25)21-8-10-26-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,18,23)/p+2