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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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