N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H19ClN5O3+ MolecularWeight: 400.83886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)C#N)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18ClN5O3/c20-18-11-15(2-1-14(18)12-21)22-19(26)13-23-7-9-24(10-8-23)16-3-5-17(6-4-16)25(27)28/h1-6,11H,7-10,13H2,(H,22,26)/p+1