2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethyl-azanium chloride Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethyl-ammonium chloride CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]ethyl-diethylammonium chloride IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethyl-diethylazanium chloride Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]ethyl-diethyl-ammonium chloride Formula: C13H18Cl2N2OS MolecularWeight: 321.26582

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C(O1)C=CC(=C2)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C(O1)C=CC(=C2)Cl.[Cl-]

InChI

InChI=1S/C13H17ClN2OS.ClH/c1-3-16(4-2)7-8-18-13-15-11-9-10(14)5-6-12(11)17-13;/h5-6,9H,3-4,7-8H2,1-2H3;1H