(5-ethylthiophen-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-ethylthiophen-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-ethyl-3-thienyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-ethyl-3-thiophenyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-ethylthiophen-3-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-ethyl-3-thienyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H22FN2OS+ MolecularWeight: 333.443483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC(=CS1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C18H21FN2OS/c1-2-17-11-15(13-23-17)18(22)21-8-6-20(7-9-21)12-14-4-3-5-16(19)10-14/h3-5,10-11,13H,2,6-9,12H2,1H3/p+1