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

Systemtic Name: (2R)-2-[4-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2R)-2-[4-[2-(3-fluoroanilino)-2-oxo-ethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2R)-2-[4-[2-(3-fluoroanilino)-2-keto-ethyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H29FN4O2S+2 MolecularWeight: 420.543963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CS1)[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H27FN4O2S/c1-16(21(28)23-8-7-19-6-3-13-29-19)26-11-9-25(10-12-26)15-20(27)24-18-5-2-4-17(22)14-18/h2-6,13-14,16H,7-12,15H2,1H3,(H,23,28)(H,24,27)/p+2/t16-/m1/s1