(5-chloranyl-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethyl-azanium chloride

Systemtic Name: (5-chloranyl-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethyl-azanium chloride Openeye Name: (5-chlorobenzothiophen-3-yl)methyl-(2-chloroethyl)-ethyl-ammonium chloride CAS Name: (5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylammonium chloride IUPAC Name: (5-chloro-1-benzothiophen-3-yl)methyl-(2-chloroethyl)-ethylazanium chloride Traditional Name: (5-chlorobenzothiophen-3-yl)methyl-(2-chloroethyl)-ethyl-ammonium chloride Formula: C13H16Cl3NS MolecularWeight: 324.69684

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCl)CC1=CSC2=C1C=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CC[NH+](CCCl)CC1=CSC2=C1C=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C13H15Cl2NS.ClH/c1-2-16(6-5-14)8-10-9-17-13-4-3-11(15)7-12(10)13;/h3-4,7,9H,2,5-6,8H2,1H3;1H