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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)acetamide Formula: C18H20ClN4OS+ MolecularWeight: 375.8956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H19ClN4OS/c1-13-2-3-15(19)10-16(13)23-7-5-22(6-8-23)12-17(24)21-18-14(11-20)4-9-25-18/h2-4,9-10H,5-8,12H2,1H3,(H,21,24)/p+1