bis(2-methylpropyl)-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium

Systemtic Name: bis(2-methylpropyl)-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium Openeye Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-diisobutyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-bis(2-methylpropyl)ammonium IUPAC Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-bis(2-methylpropyl)azanium Traditional Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-diisobutyl-ammonium Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC(C)C)CC(CN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)C[NH+](C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)O)CC(C)C

InChI

InChI=1S/C25H35N3O/c1-19(2)15-27(16-20(3)4)17-22(29)18-28-24-13-9-8-12-23(24)26-25(28)14-21-10-6-5-7-11-21/h5-13,19-20,22,29H,14-18H2,1-4H3/p+1/t22-/m0/s1