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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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