3-(5-chloranyl-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl-triethyl-azanium; ethyl sulfate

Systemtic Name: 3-(5-chloranyl-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl-triethyl-azanium; ethyl sulfate Openeye Name: 3-(5-chloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl-triethyl-ammonium; ethyl sulfate CAS Name: 3-(5-chloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)propyl-triethylammonium; ethyl sulfate IUPAC Name: 3-(5-chloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propyl-triethylazanium; ethyl sulfate Traditional Name: 3-(5-chloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propyl-triethyl-ammonium; ethyl sulfate Formula: C23H42ClN3O8S2 MolecularWeight: 588.17788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CCC[N+](CC)(CC)CC)C.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)Cl)CCC[N+](CC)(CC)CC)C.CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C19H32ClN3.2C2H6O4S/c1-6-21-16(5)22(18-12-11-17(20)15-19(18)21)13-10-14-23(7-2,8-3)9-4;2*1-2-6-7(3,4)5/h11-12,15H,6-10,13-14H2,1-5H3;2*2H2,1H3,(H,3,4,5)/q+2;;/p-2