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

Systemtic Name: 4-[(5-chloranylthiophen-2-yl)methyl]-N-(3-fluoranyl-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-thiophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chlorothiophen-2-yl)methyl]-N-(3-fluoro-4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-chloro-2-thienyl)methyl]-N-(3-fluoro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C17H20ClFN3OS+ MolecularWeight: 368.876603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC=C(S3)Cl)F

InChI

InChI=1S/C17H19ClFN3OS/c1-12-2-3-13(10-15(12)19)20-17(23)22-8-6-21(7-9-22)11-14-4-5-16(18)24-14/h2-5,10H,6-9,11H2,1H3,(H,20,23)/p+1