2-[2-(4-chloranylphenoxy)ethanoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)COC3=CC=C(C=C3)Cl

InChI

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