2-[2-azanylidene-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[2-azanylidene-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride CAS Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-imino-1-benzimidazolyl]ethyl-diethylammonium chloride IUPAC Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]-2-iminobenzimidazol-1-yl]ethyl-diethylazanium chloride Traditional Name: 2-[3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethyl]-2-imino-benzimidazol-1-yl]ethyl-diethyl-ammonium chloride Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC4=C(C=C3)OCO4)O.[Cl-]

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC4=C(C=C3)OCO4)O.[Cl-]

InChI

InChI=1S/C22H28N4O3.ClH/c1-3-24(4-2)11-12-25-17-7-5-6-8-18(17)26(22(25)23)14-19(27)16-9-10-20-21(13-16)29-15-28-20;/h5-10,13,19,23,27H,3-4,11-12,14-15H2,1-2H3;1H