2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)ethanoyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)ethanoyl]amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[2-(4-fluorophenyl)acetyl]amino]ethyl-diethyl-ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3OS/c1-3-24(4-2)13-14-25(20(26)15-16-9-11-17(22)12-10-16)21-23-18-7-5-6-8-19(18)27-21/h5-12H,3-4,13-15H2,1-2H3/p+1