4-[(5-chloranylthiophen-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazin-4-ium-1-carboxamide Formula: C17H18ClF3N3OS+ MolecularWeight: 404.85753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H17ClF3N3OS/c18-15-5-4-14(26-15)11-23-6-8-24(9-7-23)16(25)22-13-3-1-2-12(10-13)17(19,20)21/h1-5,10H,6-9,11H2,(H,22,25)/p+1