2-[2-(4-chloranylphenoxy)ethanoyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3S/c1-4-27-17-6-5-7-18-20(17)23-21(29-18)25(13-12-24(2)3)19(26)14-28-16-10-8-15(22)9-11-16/h5-11H,4,12-14H2,1-3H3/p+1