2-[[4,6-bis(chloranyl)-1,3-benzothiazol-3-ium-7-yl]amino]ethyl-diethyl-azanium dichloride

Systemtic Name: 2-[[4,6-bis(chloranyl)-1,3-benzothiazol-3-ium-7-yl]amino]ethyl-diethyl-azanium dichloride Openeye Name: 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethyl-ammonium dichloride CAS Name: 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylammonium dichloride IUPAC Name: 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethylazanium dichloride Traditional Name: 2-[(4,6-dichloro-1,3-benzothiazol-3-ium-7-yl)amino]ethyl-diethyl-ammonium dichloride Formula: C13H19Cl4N3S MolecularWeight: 391.18706

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC1=C(C=C(C2=C1SC=[NH+]2)Cl)Cl.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCNC1=C(C=C(C2=C1SC=[NH+]2)Cl)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C13H17Cl2N3S.2ClH/c1-3-18(4-2)6-5-16-11-9(14)7-10(15)12-13(11)19-8-17-12;;/h7-8,16H,3-6H2,1-2H3;2*1H