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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-morpholino-5-nitro-benzamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H27N5O4/c1-24-8-10-25(11-9-24)18-4-2-17(3-5-18)23-22(28)20-16-19(27(29)30)6-7-21(20)26-12-14-31-15-13-26/h2-7,16H,8-15H2,1H3,(H,23,28)/p+1