3-[(3,4-dimethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonyl-(4-fluoranyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dimethoxybenzoyl)-(4-fluoro-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-fluoro-1,3-benzothiazol-2-yl)-veratroyl-amino]propyl-dimethyl-ammonium Formula: C21H25FN3O3S+ MolecularWeight: 418.504903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3S/c1-24(2)11-6-12-25(21-23-19-15(22)7-5-8-18(19)29-21)20(26)14-9-10-16(27-3)17(13-14)28-4/h5,7-10,13H,6,11-12H2,1-4H3/p+1