1,3-benzothiazol-2-ylmethyl-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-furylmethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-furanylmethylamino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-furfurylamino)-2-keto-ethyl]-methyl-ammonium Formula: C16H18N3O2S+ MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CO3

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H17N3O2S/c1-19(10-15(20)17-9-12-5-4-8-21-12)11-16-18-13-6-2-3-7-14(13)22-16/h2-8H,9-11H2,1H3,(H,17,20)/p+1