4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazol-3-ium dichloride

Systemtic Name: 4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazol-3-ium dichloride Openeye Name: 4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)thiazol-3-ium dichloride CAS Name: 4-(3-bromophenyl)-2-(1-methyl-4-piperidin-1-iumyl)thiazol-3-ium dichloride IUPAC Name: 4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)-1,3-thiazol-3-ium dichloride Traditional Name: 4-(3-bromophenyl)-2-(1-methylpiperidin-1-ium-4-yl)thiazol-3-ium dichloride Formula: C15H19BrCl2N2S MolecularWeight: 410.19976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=[NH+]C(=CS2)C3=CC(=CC=C3)Br.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)C2=[NH+]C(=CS2)C3=CC(=CC=C3)Br.[Cl-].[Cl-]

InChI

InChI=1S/C15H17BrN2S.2ClH/c1-18-7-5-11(6-8-18)15-17-14(10-19-15)12-3-2-4-13(16)9-12;;/h2-4,9-11H,5-8H2,1H3;2*1H