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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(2-cyanoethyl)-N-phenylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenylacetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(2-cyanoethyl)-N-phenyl-acetamide Formula: C22H26ClN4O+ MolecularWeight: 397.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O/c1-18-8-9-19(23)16-21(18)26-14-12-25(13-15-26)17-22(28)27(11-5-10-24)20-6-3-2-4-7-20/h2-4,6-9,16H,5,11-15,17H2,1H3/p+1