2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazol-3-ium dichloride

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazol-3-ium dichloride Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazol-3-ium dichloride CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-benzimidazol-3-ium dichloride IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazol-3-ium dichloride Traditional Name: 2-(2-piperidin-1-ium-1-ylethylthio)-1H-benzimidazol-3-ium dichloride Formula: C14H21Cl2N3S MolecularWeight: 334.30764

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=[NH+]C3=CC=CC=C3N2.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=[NH+]C3=CC=CC=C3N2.[Cl-].[Cl-]

InChI

InChI=1S/C14H19N3S.2ClH/c1-4-8-17(9-5-1)10-11-18-14-15-12-6-2-3-7-13(12)16-14;;/h2-3,6-7H,1,4-5,8-11H2,(H,15,16);2*1H