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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzamide CAS Name: N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazin-4-iumyl)methyl]benzamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)/p+1