1-adamantyl-[[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]azanium chloride

Systemtic Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]azanium chloride Openeye Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methoxy]-3-methoxy-phenyl]methyl]ammonium chloride CAS Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methoxy]-3-methoxyphenyl]methyl]ammonium chloride IUPAC Name: 1-adamantyl-[[4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methoxy]-3-methoxyphenyl]methyl]azanium chloride Traditional Name: 1-adamantyl-[4-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methoxy]-3-methoxy-benzyl]ammonium chloride Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)C[NH2+]C45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C.[Cl-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)COC3=C(C=C(C=C3)C[NH2+]C45CC6CC(C4)CC(C6)C5)OC)N(C1=O)C.[Cl-]

InChI

InChI=1S/C28H35N3O3.ClH/c1-30-23-6-4-19(11-24(23)31(2)27(30)32)17-34-25-7-5-18(12-26(25)33-3)16-29-28-13-20-8-21(14-28)10-22(9-20)15-28;/h4-7,11-12,20-22,29H,8-10,13-17H2,1-3H3;1H