2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-azanium chloride Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-ammonium chloride CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethylammonium chloride IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethylazanium chloride Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]ethyl-diethyl-ammonium chloride Formula: C19H22Cl2N2OS MolecularWeight: 397.36178

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.[Cl-]

InChI

InChI=1S/C19H21ClN2OS.ClH/c1-3-22(4-2)11-12-23-16-8-5-14(6-9-16)19-21-17-13-15(20)7-10-18(17)24-19;/h5-10,13H,3-4,11-12H2,1-2H3;1H