diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-[(4-methoxyphenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-fluoro-1,3-benzothiazol-2-yl)-p-anisoyl-amino]ethyl]ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O2S/c1-4-24(5-2)13-14-25(20(26)15-9-11-16(27-3)12-10-15)21-23-19-17(22)7-6-8-18(19)28-21/h6-12H,4-5,13-14H2,1-3H3/p+1