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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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