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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide Traditional Name: N-[4-(2-ketopyrrolidino)benzyl]-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)N4CCCC4=O)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-25-11-13-26(14-12-25)20-9-6-18(15-21(20)28(31)32)23(30)24-16-17-4-7-19(8-5-17)27-10-2-3-22(27)29/h4-9,15H,2-3,10-14,16H2,1H3,(H,24,30)/p+1