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

Systemtic Name: bis(2-hydroxyethyl)-[(2R)-2-oxidanyl-3-[2-(phenylmethyl)benzimidazol-1-yl]propyl]azanium Openeye Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium CAS Name: bis(2-hydroxyethyl)-[(2R)-2-hydroxy-3-[2-(phenylmethyl)-1-benzimidazolyl]propyl]ammonium IUPAC Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(2R)-3-(2-benzylbenzimidazol-1-yl)-2-hydroxy-propyl]-bis(2-hydroxyethyl)ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(C[NH+](CCO)CCO)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2C[C@H](C[NH+](CCO)CCO)O

InChI

InChI=1S/C21H27N3O3/c25-12-10-23(11-13-26)15-18(27)16-24-20-9-5-4-8-19(20)22-21(24)14-17-6-2-1-3-7-17/h1-9,18,25-27H,10-16H2/p+1/t18-/m0/s1