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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-morpholino-3-nitro-benzamide Formula: C23H30N5O4+ MolecularWeight: 440.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O4/c1-2-25-9-11-26(12-10-25)20-6-4-3-5-19(20)24-23(29)18-7-8-21(22(17-18)28(30)31)27-13-15-32-16-14-27/h3-8,17H,2,9-16H2,1H3,(H,24,29)/p+1