cyclooctyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-hydroxy-ethoxy]phenyl]methyl]ammonium CAS Name: cyclooctyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-hydroxyethoxy]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[4-[(2S)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-hydroxyethoxy]phenyl]methyl]azanium Traditional Name: cyclooctyl-[4-[(2S)-2-hydroxy-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethoxy]benzyl]ammonium Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)C[NH2+]C4CCCCCCC4)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](COC3=CC=C(C=C3)C[NH2+]C4CCCCCCC4)O)N(C1=O)C

InChI

InChI=1S/C26H35N3O3/c1-28-23-15-12-20(16-24(23)29(2)26(28)31)25(30)18-32-22-13-10-19(11-14-22)17-27-21-8-6-4-3-5-7-9-21/h10-16,21,25,27,30H,3-9,17-18H2,1-2H3/p+1/t25-/m1/s1