3-(2-piperidin-1-ium-1-ylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine dichloride

Systemtic Name: 3-(2-piperidin-1-ium-1-ylethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine dichloride Openeye Name: 3-(2-piperidin-1-ium-1-ylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine dichloride CAS Name: 3-[2-(1-piperidin-1-iumyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine dichloride IUPAC Name: 3-(2-piperidin-1-ium-1-ylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine dichloride Traditional Name: [3-(2-piperidin-1-ium-1-ylethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine dichloride Formula: C15H20Cl2F3N3OS MolecularWeight: 418.30501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N.[Cl-].[Cl-]

InChI

InChI=1S/C15H18F3N3OS.2ClH/c16-15(17,18)22-11-4-5-12-13(10-11)23-14(19)21(12)9-8-20-6-2-1-3-7-20;;/h4-5,10,19H,1-3,6-9H2;2*1H