4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide Openeye Name: N-(2-isopropylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(2-propan-2-ylphenyl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-o-cumenyl-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-15(2)17-6-4-5-7-18(17)22-21(26)16-8-9-19(20(14-16)25(27)28)24-12-10-23(3)11-13-24/h4-9,14-15H,10-13H2,1-3H3,(H,22,26)/p+1