4,7-bis(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole dichloride

Systemtic Name: 4,7-bis(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole dichloride Openeye Name: 4,7-bis(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole dichloride CAS Name: 4,7-bis(1-pyridin-1-iumylmethyl)-2,1,3-benzothiadiazole dichloride IUPAC Name: 4,7-bis(pyridin-1-ium-1-ylmethyl)-2,1,3-benzothiadiazole dichloride Traditional Name: 4,7-bis(pyridin-1-ium-1-ylmethyl)piazthiole dichloride Formula: C18H16Cl2N4S MolecularWeight: 391.31744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C3=NSN=C23)C[N+]4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C3=NSN=C23)C[N+]4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C18H16N4S.2ClH/c1-3-9-21(10-4-1)13-15-7-8-16(18-17(15)19-23-20-18)14-22-11-5-2-6-12-22;;/h1-12H,13-14H2;2*1H/q+2;;/p-2