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

Systemtic Name: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride Openeye Name: diethyl-[2-[2-[4-(ethylammonio)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium trichloride CAS Name: diethyl-[2-[2-[[4-(ethylammonio)phenyl]thio]-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium trichloride IUPAC Name: diethyl-[2-[2-[4-(ethylazaniumyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium trichloride Traditional Name: diethyl-[2-[2-[[4-(ethylammonio)phenyl]thio]-3H-benzimidazol-1-ium-1-yl]ethyl]ammonium trichloride Formula: C21H31Cl3N4S MolecularWeight: 477.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC[NH2+]C1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C21H28N4S.3ClH/c1-4-22-17-11-13-18(14-12-17)26-21-23-19-9-7-8-10-20(19)25(21)16-15-24(5-2)6-3;;;/h7-14,22H,4-6,15-16H2,1-3H3;3*1H