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

Systemtic Name: cyclohexyl-methyl-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium Openeye Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]-methylammonium IUPAC Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-cyclohexyl-methylazanium Traditional Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(CN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)O)C4CCCCC4

Isomeric SMILES

C[NH+](C[C@@H](CN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)O)C4CCCCC4

InChI

InChI=1S/C24H31N3O/c1-26(20-12-6-3-7-13-20)17-21(28)18-27-23-15-9-8-14-22(23)25-24(27)16-19-10-4-2-5-11-19/h2,4-5,8-11,14-15,20-21,28H,3,6-7,12-13,16-18H2,1H3/p+1/t21-/m0/s1