N-(3-fluorophenyl)-2-[4-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[4-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[4-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]piperazine-1,4-diium-1-yl]acetamide Formula: C20H27FN4O2S+2 MolecularWeight: 406.517383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C1=CC=CS1)NC(=O)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C20H25FN4O2S/c1-15(18-6-3-11-28-18)22-19(26)13-24-7-9-25(10-8-24)14-20(27)23-17-5-2-4-16(21)12-17/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,22,26)(H,23,27)/p+2/t15-/m1/s1