[(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanyl-propyl]azanium

Systemtic Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-hydroxy-propyl]ammonium CAS Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-hydroxypropyl]ammonium IUPAC Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-hydroxypropyl]azanium Traditional Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-hydroxy-propyl]ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C[NH3+])O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC[C@@H](C[NH3+])O

InChI

InChI=1S/C12H17N3O2S/c1-2-17-9-3-4-10-11(5-9)15-12(14-10)18-7-8(16)6-13/h3-5,8,16H,2,6-7,13H2,1H3,(H,14,15)/p+1/t8-/m1/s1