3-[2-azanylidene-3-(3,3-dimethyl-2-oxidanyl-butyl)benzimidazol-1-yl]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[2-azanylidene-3-(3,3-dimethyl-2-oxidanyl-butyl)benzimidazol-1-yl]propyl-dimethyl-azanium chloride Openeye Name: 3-[3-(2-hydroxy-3,3-dimethyl-butyl)-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium chloride CAS Name: 3-[3-(2-hydroxy-3,3-dimethylbutyl)-2-imino-1-benzimidazolyl]propyl-dimethylammonium chloride IUPAC Name: 3-[3-(2-hydroxy-3,3-dimethylbutyl)-2-iminobenzimidazol-1-yl]propyl-dimethylazanium chloride Traditional Name: 3-[3-(2-hydroxy-3,3-dimethyl-butyl)-2-imino-benzimidazol-1-yl]propyl-dimethyl-ammonium chloride Formula: C18H31ClN4O MolecularWeight: 354.91794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C2=CC=CC=C2N(C1=N)CCC[NH+](C)C)O.[Cl-]

Isomeric SMILES

CC(C)(C)C(CN1C2=CC=CC=C2N(C1=N)CCC[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C18H30N4O.ClH/c1-18(2,3)16(23)13-22-15-10-7-6-9-14(15)21(17(22)19)12-8-11-20(4)5;/h6-7,9-10,16,19,23H,8,11-13H2,1-5H3;1H