2-(2-azanyl-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-(2-azanyl-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethyl-azanium dichloride Openeye Name: 2-(2-amino-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethyl-ammonium dichloride CAS Name: 2-(2-amino-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethylammonium dichloride IUPAC Name: 2-(2-amino-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethylazanium dichloride Traditional Name: 2-(2-amino-6-tert-butyl-1,3-benzothiazol-3-ium-3-yl)ethyl-dimethyl-ammonium dichloride Formula: C15H25Cl2N3S MolecularWeight: 350.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)[N+](=C(S2)N)CC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)[N+](=C(S2)N)CC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C15H23N3S.2ClH/c1-15(2,3)11-6-7-12-13(10-11)19-14(16)18(12)9-8-17(4)5;;/h6-7,10,16H,8-9H2,1-5H3;2*1H