3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]propyl-diethyl-azanium chloride

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]propyl-diethyl-azanium chloride Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]propyl-diethyl-ammonium chloride CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]propyl-diethylammonium chloride IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)amino]propyl-diethylazanium chloride Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)amino]propyl-diethyl-ammonium chloride Formula: C16H22Cl2N2OS MolecularWeight: 361.32968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC(=O)C1=C(C2=CC=CC=C2S1)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCCNC(=O)C1=C(C2=CC=CC=C2S1)Cl.[Cl-]

InChI

InChI=1S/C16H21ClN2OS.ClH/c1-3-19(4-2)11-7-10-18-16(20)15-14(17)12-8-5-6-9-13(12)21-15;/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,18,20);1H