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

Systemtic Name: 5-morpholin-4-yl-2-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 5-morpholino-2-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 5-(4-morpholinyl)-2-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 5-morpholin-4-yl-2-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-morpholino-2-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c29-24(22-16-21(8-9-23(22)28(30)31)27-12-14-32-15-13-27)25-17-19-4-6-20(7-5-19)18-26-10-2-1-3-11-26/h4-9,16H,1-3,10-15,17-18H2,(H,25,29)/p+1