2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-fluoranyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-fluoro-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H25FN3O2S+ MolecularWeight: 402.505503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)F

InChI

InChI=1S/C21H24FN3O2S/c1-14(2)27-17-8-5-15(6-9-17)20(26)25(12-11-24(3)4)21-23-18-10-7-16(22)13-19(18)28-21/h5-10,13-14H,11-12H2,1-4H3/p+1