(3-fluoranyl-4-methoxy-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-fluoro-4-methoxy-phenyl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-fluoro-4-methoxyphenyl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-fluoro-4-methoxyphenyl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-fluoro-4-methoxy-phenyl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C17H20FN2O2S+ MolecularWeight: 335.416303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CSC=C3)F

InChI

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