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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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