[4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethyl-azanium trichloride

Systemtic Name: [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethyl-azanium trichloride Openeye Name: [4-[[3-[2-(diethylammonio)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethyl-ammonium trichloride CAS Name: [4-[[3-[2-(diethylammonio)ethyl]-1H-benzimidazol-3-ium-2-yl]thio]phenyl]-diethylammonium trichloride IUPAC Name: [4-[[3-[2-(diethylazaniumyl)ethyl]-1H-benzimidazol-3-ium-2-yl]sulfanyl]phenyl]-diethylazanium trichloride Traditional Name: [4-[[3-[2-(diethylammonio)ethyl]-1H-benzimidazol-3-ium-2-yl]thio]phenyl]-diethyl-ammonium trichloride Formula: C23H35Cl3N4S MolecularWeight: 505.9748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)[NH+](CC)CC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CC[N+]1=C(NC2=CC=CC=C21)SC3=CC=C(C=C3)[NH+](CC)CC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C23H32N4S.3ClH/c1-5-25(6-2)17-18-27-22-12-10-9-11-21(22)24-23(27)28-20-15-13-19(14-16-20)26(7-3)8-4;;;/h9-16H,5-8,17-18H2,1-4H3;3*1H