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

Systemtic Name: [4-[(2S)-2-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-oxidanyl-ethoxy]phenyl]methyl-phenethyl-azanium Openeye Name: [4-[(2S)-2-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-2-hydroxy-ethoxy]phenyl]methyl-phenethyl-ammonium CAS Name: [4-[(2S)-2-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-2-hydroxyethoxy]phenyl]methyl-phenethylammonium IUPAC Name: [4-[(2S)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-hydroxyethoxy]phenyl]methyl-phenethylazanium Traditional Name: [4-[(2S)-2-hydroxy-2-(2-keto-1,3-dimethyl-benzimidazol-5-yl)ethoxy]benzyl]-phenethyl-ammonium Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)C[NH2+]CCC4=CC=CC=C4)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](COC3=CC=C(C=C3)C[NH2+]CCC4=CC=CC=C4)O)N(C1=O)C

InChI

InChI=1S/C26H29N3O3/c1-28-23-13-10-21(16-24(23)29(2)26(28)31)25(30)18-32-22-11-8-20(9-12-22)17-27-15-14-19-6-4-3-5-7-19/h3-13,16,25,27,30H,14-15,17-18H2,1-2H3/p+1/t25-/m1/s1