2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanophenyl)acetamide Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H21ClN4O/c1-15-5-6-17(21)12-19(15)25-9-7-24(8-10-25)14-20(26)23-18-4-2-3-16(11-18)13-22/h2-6,11-12H,7-10,14H2,1H3,(H,23,26)/p+1