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

Systemtic Name: (5-ethylthiophen-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-ethyl-3-thienyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-ethyl-3-thiophenyl)-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-ethylthiophen-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-ethyl-3-thienyl)-[4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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