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

Systemtic Name: methyl-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-methylazanium Traditional Name: benzyl-[(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@@H](CN2C3=CC=CC=C3N=C2CC4=CC=CC=C4)O

InChI

InChI=1S/C25H27N3O/c1-27(17-21-12-6-3-7-13-21)18-22(29)19-28-24-15-9-8-14-23(24)26-25(28)16-20-10-4-2-5-11-20/h2-15,22,29H,16-19H2,1H3/p+1/t22-/m0/s1