3-[(2-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-naphthalen-1-ylethanoate

Systemtic Name: 3-[(2-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-naphthalen-1-ylethanoate Openeye Name: 3-[(2-fluorophenyl)methyl]thiazol-3-ium-2-amine; 2-(1-naphthyl)acetate CAS Name: 3-[(2-fluorophenyl)methyl]-2-thiazol-3-iumamine; 2-(1-naphthalenyl)acetate IUPAC Name: 3-[(2-fluorophenyl)methyl]-1,3-thiazol-3-ium-2-amine; 2-naphthalen-1-ylacetate Traditional Name: [3-(2-fluorobenzyl)thiazol-3-ium-2-yl]amine; 2-(1-naphthyl)acetate Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].C1=CC=C(C(=C1)C[N+]2=C(SC=C2)N)F

InChI

InChI=1S/C12H10O2.C10H9FN2S/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;11-9-4-2-1-3-8(9)7-13-5-6-14-10(13)12/h1-7H,8H2,(H,13,14);1-6,12H,7H2