diethyl-[2-[(2-fluorophenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(2-fluorophenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(2-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium CAS Name: diethyl-[2-[[(2-fluorophenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(2-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(2-fluorobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium Formula: C21H25FN3OS+ MolecularWeight: 386.506103

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3F

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H24FN3OS/c1-4-24(5-2)12-13-25(20(26)16-8-6-7-9-17(16)22)21-23-18-11-10-15(3)14-19(18)27-21/h6-11,14H,4-5,12-13H2,1-3H3/p+1