N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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