N-(2-chlorophenyl)-2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H19ClN4O2/c21-17-3-1-2-4-18(17)23-19(26)14-24-9-11-25(12-10-24)20(27)16-7-5-15(13-22)6-8-16/h1-8H,9-12,14H2,(H,23,26)/p+1