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

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C19H22ClN4OS+ MolecularWeight: 389.92218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4OS/c1-14-2-3-16(20)12-17(14)24-9-7-23(8-10-24)6-4-18(25)22-19-15(13-21)5-11-26-19/h2-3,5,11-12H,4,6-10H2,1H3,(H,22,25)/p+1