(5-ethylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-ethylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-ethyl-2-thienyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-ethyl-2-thiophenyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-ethylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-ethyl-2-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=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

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