2-[2-(4-chloranylphenoxy)ethanoyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H24ClN3O2S/c1-14-5-10-18-20(15(14)2)23-21(28-18)25(12-11-24(3)4)19(26)13-27-17-8-6-16(22)7-9-17/h5-10H,11-13H2,1-4H3/p+1