[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(5-methyl-3-thiophenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-methylthiophen-3-yl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(5-methyl-3-thienyl)methanone Formula: C17H19ClFN2OS+ MolecularWeight: 353.861963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H18ClFN2OS/c1-12-8-14(11-23-12)17(22)21-6-4-20(5-7-21)10-13-2-3-15(19)9-16(13)18/h2-3,8-9,11H,4-7,10H2,1H3/p+1