N-(2-chlorophenyl)-2-[4-(3-phenylimidazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-phenylimidazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-(3-phenyl-4-imidazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C22H23ClN5O2+ MolecularWeight: 424.90332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O2/c23-18-8-4-5-9-19(18)25-21(29)15-26-10-12-27(13-11-26)22(30)20-14-24-16-28(20)17-6-2-1-3-7-17/h1-9,14,16H,10-13,15H2,(H,25,29)/p+1