(2-fluoranyl-4-methoxy-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-fluoranyl-4-methoxy-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (2-fluoro-4-methoxy-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-fluoro-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluoro-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (2-fluoro-4-methoxy-phenyl)-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H20FN2O2S+ MolecularWeight: 335.416303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CS3)F

InChI

InChI=1S/C17H19FN2O2S/c1-22-13-4-5-15(16(18)11-13)17(21)20-8-6-19(7-9-20)12-14-3-2-10-23-14/h2-5,10-11H,6-9,12H2,1H3/p+1