3-ethyl-N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 3-ethyl-N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 3-ethyl-N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-3-ium-2-amine CAS Name: 3-ethyl-N-(4-fluorophenyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazol-3-iumamine IUPAC Name: 3-ethyl-N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [3-ethyl-4-(4-pyrrolidinosulfonylphenyl)thiazol-3-ium-2-yl]-(4-fluorophenyl)amine Formula: C21H23FN3O2S2+ MolecularWeight: 432.554623

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=C(C=C4)F

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O2S2/c1-2-25-20(15-28-21(25)23-18-9-7-17(22)8-10-18)16-5-11-19(12-6-16)29(26,27)24-13-3-4-14-24/h5-12,15H,2-4,13-14H2,1H3/p+1