1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H28FN3OS+2 MolecularWeight: 389.529923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F)C4=CC=CS4

InChI

InChI=1S/C21H26FN3OS/c22-18-6-2-1-5-17(18)15-23-10-12-24(13-11-23)21(26)16-25-9-3-7-19(25)20-8-4-14-27-20/h1-2,4-6,8,14,19H,3,7,9-13,15-16H2/p+2/t19-/m0/s1