2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)ethanamide Openeye Name: N-(4-isopropylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-N-(4-propan-2-ylphenyl)acetamide IUPAC Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-(4-propan-2-ylphenyl)acetamide Traditional Name: 2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-p-cumenyl-acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-16(2)17-3-5-18(6-4-17)22-21(26)15-23-11-13-24(14-12-23)19-7-9-20(10-8-19)25(27)28/h3-10,16H,11-15H2,1-2H3,(H,22,26)/p+1