4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methoxy]-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(difluoromethoxy)-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C21H25F2N4O5+ MolecularWeight: 451.443806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-])OC(F)F

InChI

InChI=1S/C21H24F2N4O5/c1-31-18-13-16(17(27(29)30)14-19(18)32-21(22)23)20(28)24-7-8-25-9-11-26(12-10-25)15-5-3-2-4-6-15/h2-6,13-14,21H,7-12H2,1H3,(H,24,28)/p+1