4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]benzamide Formula: C23H27F3N5O3+ MolecularWeight: 478.48739

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H26F3N5O3/c1-28-10-12-30(13-11-28)20-6-4-16(14-21(20)31(33)34)22(32)27-18-15-17(23(24,25)26)5-7-19(18)29-8-2-3-9-29/h4-7,14-15H,2-3,8-13H2,1H3,(H,27,32)/p+1