3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(furan-2-ylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(furan-2-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-[2-furanyl(oxo)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(2-furoyl)amino]propyl-dimethyl-ammonium Formula: C17H19BrN3O2S+ MolecularWeight: 409.32066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=CO3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Br)C(=O)C3=CC=CO3

InChI

InChI=1S/C17H18BrN3O2S/c1-20(2)8-4-9-21(16(22)14-5-3-10-23-14)17-19-13-7-6-12(18)11-15(13)24-17/h3,5-7,10-11H,4,8-9H2,1-2H3/p+1