[4-[[5-fluoranyl-2-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[5-fluoranyl-2-(2-thiophen-2-ylethanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[5-fluoro-2-[[2-(2-thienyl)acetyl]amino]anilino]-4-oxo-butyl]ammonium CAS Name: [4-[5-fluoro-2-[(1-oxo-2-thiophen-2-ylethyl)amino]anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[5-fluoro-2-[(2-thiophen-2-ylacetyl)amino]anilino]-4-oxobutyl]azanium Traditional Name: [4-[5-fluoro-2-[[2-(2-thienyl)acetyl]amino]anilino]-4-keto-butyl]ammonium Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2=C(C=C(C=C2)F)NC(=O)CCC[NH3+]

InChI

InChI=1S/C16H18FN3O2S/c17-11-5-6-13(14(9-11)20-15(21)4-1-7-18)19-16(22)10-12-3-2-8-23-12/h2-3,5-6,8-9H,1,4,7,10,18H2,(H,19,22)(H,20,21)/p+1