N-[3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C23H22ClFN3O2S+ MolecularWeight: 458.956083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H21ClFN3O2S/c24-19-6-2-7-20(25)18(19)15-27-9-11-28(12-10-27)23(30)16-4-1-5-17(14-16)26-22(29)21-8-3-13-31-21/h1-8,13-14H,9-12,15H2,(H,26,29)/p+1