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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

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