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

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

Isomeric SMILES

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

InChI

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