2-[2-azanylidene-3-[2-(4-methylphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride

Systemtic Name: 2-[2-azanylidene-3-[2-(4-methylphenyl)-2-oxidanyl-ethyl]benzimidazol-1-yl]ethyl-diethyl-azanium chloride Openeye Name: diethyl-[2-[3-[2-hydroxy-2-(p-tolyl)ethyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium chloride CAS Name: diethyl-[2-[3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-imino-1-benzimidazolyl]ethyl]ammonium chloride IUPAC Name: diethyl-[2-[3-[2-hydroxy-2-(4-methylphenyl)ethyl]-2-iminobenzimidazol-1-yl]ethyl]azanium chloride Traditional Name: diethyl-[2-[3-[2-hydroxy-2-(p-tolyl)ethyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium chloride Formula: C22H31ClN4O MolecularWeight: 402.96074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O.ClH/c1-4-24(5-2)14-15-25-19-8-6-7-9-20(19)26(22(25)23)16-21(27)18-12-10-17(3)11-13-18;/h6-13,21,23,27H,4-5,14-16H2,1-3H3;1H