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

Systemtic Name: (4,5-dimethylthiophen-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4,5-dimethyl-3-thienyl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4,5-dimethyl-3-thiophenyl)-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4,5-dimethylthiophen-3-yl)-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4,5-dimethyl-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:

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC=C1C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)F)C

InChI

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