[3-(carboxyamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butyl]-dimethyl-sulfanium

Systemtic Name: [3-(carboxyamino)-4-[(4-fluorophenyl)amino]-4-oxidanylidene-butyl]-dimethyl-sulfanium Openeye Name: [3-(carboxyamino)-4-(4-fluoroanilino)-4-oxo-butyl]-dimethyl-sulfonium CAS Name: [3-(carboxyamino)-4-(4-fluoroanilino)-4-oxobutyl]-dimethylsulfonium IUPAC Name: [3-(carboxyamino)-4-(4-fluoroanilino)-4-oxobutyl]-dimethylsulfanium Traditional Name: [3-(carboxyamino)-4-(4-fluoroanilino)-4-keto-butyl]-dimethyl-sulfonium Formula: C13H18FN2O3S+ MolecularWeight: 301.357023

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)CCC(C(=O)NC1=CC=C(C=C1)F)NC(=O)O

Isomeric SMILES

C[S+](C)CCC(C(=O)NC1=CC=C(C=C1)F)NC(=O)O

InChI

InChI=1S/C13H17FN2O3S/c1-20(2)8-7-11(16-13(18)19)12(17)15-10-5-3-9(14)4-6-10/h3-6,11,16H,7-8H2,1-2H3,(H-,15,17,18,19)/p+1