3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-N-(3-cyano-2-thienyl)propionamide Formula: C19H21ClFN4OS+ MolecularWeight: 407.912643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)CCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C19H20ClFN4OS/c20-16-2-1-3-17(21)15(16)13-25-9-7-24(8-10-25)6-4-18(26)23-19-14(12-22)5-11-27-19/h1-3,5,11H,4,6-10,13H2,(H,23,26)/p+1