3-[(6-methoxy-1,3-benzothiazol-2-yl)-(1,2-oxazol-5-ylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(1,2-oxazol-5-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[isoxazole-5-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[5-isoxazolyl(oxo)methyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(1,2-oxazole-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[isoxazole-5-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=NO3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=NO3

InChI

InChI=1S/C17H20N4O3S/c1-20(2)9-4-10-21(16(22)14-7-8-18-24-14)17-19-13-6-5-12(23-3)11-15(13)25-17/h5-8,11H,4,9-10H2,1-3H3/p+1