diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl]azanium dichloride

Systemtic Name: diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl]azanium dichloride Openeye Name: diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl]ammonium dichloride CAS Name: diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl]ammonium dichloride IUPAC Name: diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)sulfanyl]ethyl]azanium dichloride Traditional Name: diethyl-[2-[(5-methoxy-1H-benzimidazol-1-ium-2-yl)thio]ethyl]ammonium dichloride Formula: C14H23Cl2N3OS MolecularWeight: 352.32292

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=NC2=C([NH2+]1)C=CC(=C2)OC.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCSC1=NC2=C([NH2+]1)C=CC(=C2)OC.[Cl-].[Cl-]

InChI

InChI=1S/C14H21N3OS.2ClH/c1-4-17(5-2)8-9-19-14-15-12-7-6-11(18-3)10-13(12)16-14;;/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,16);2*1H