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

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C16H18ClFN3OS+ MolecularWeight: 354.850023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3OS/c17-15-6-5-14(23-15)11-20-7-9-21(10-8-20)16(22)19-13-3-1-12(18)2-4-13/h1-6H,7-11H2,(H,19,22)/p+1