3-[1,3-benzothiazol-2-yl(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[1,3-benzothiazol-2-yl(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)COC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-22(2)13-8-14-23(19(24)15-25-16-9-4-3-5-10-16)20-21-17-11-6-7-12-18(17)26-20/h3-7,9-12H,8,13-15H2,1-2H3/p+1