2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-N-(2-methylphenyl)ethanamide

Systemtic Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]-1-piperazin-4-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[4-[3-(3-chlorophenyl)-1H-imidazol-2-ylidene]piperazin-4-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[4-[1-(3-chlorophenyl)-4-imidazolin-2-ylidene]piperazin-4-ium-1-yl]-N-(o-tolyl)acetamide Formula: C22H25ClN5O+ MolecularWeight: 410.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CN2CC[N+](=C3NC=CN3C4=CC(=CC=C4)Cl)CC2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CN2CC[N+](=C3NC=CN3C4=CC(=CC=C4)Cl)CC2

InChI

InChI=1S/C22H24ClN5O/c1-17-5-2-3-8-20(17)25-21(29)16-26-11-13-27(14-12-26)22-24-9-10-28(22)19-7-4-6-18(23)15-19/h2-10,15H,11-14,16H2,1H3,(H,25,29)/p+1