N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H27ClN5O4+ MolecularWeight: 460.93388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5O4/c1-25-6-8-26(9-7-25)19-5-3-17(15-18(19)23)24-22(29)16-2-4-20(21(14-16)28(30)31)27-10-12-32-13-11-27/h2-5,14-15H,6-13H2,1H3,(H,24,29)/p+1