2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C20H24ClN4O3+ MolecularWeight: 403.88256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H23ClN4O3/c1-2-15-5-3-4-6-17(15)22-20(26)14-23-9-11-24(12-10-23)18-8-7-16(21)13-19(18)25(27)28/h3-8,13H,2,9-12,14H2,1H3,(H,22,26)/p+1