(4-ethyl-5-methyl-thiophen-2-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethyl-5-methyl-thiophen-2-yl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethyl-5-methyl-2-thienyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethyl-5-methyl-2-thiophenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethyl-5-methylthiophen-2-yl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethyl-5-methyl-2-thienyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C20H26FN2O2S+ MolecularWeight: 377.496043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)C

InChI

InChI=1S/C20H25FN2O2S/c1-4-15-12-19(26-14(15)2)20(24)23-9-7-22(8-10-23)13-16-11-17(21)5-6-18(16)25-3/h5-6,11-12H,4,7-10,13H2,1-3H3/p+1