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

Systemtic Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-hydroxypropyl]-methylazanium Traditional Name: [(2R)-3-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-2-hydroxy-propyl]-methyl-ammonium Formula: C13H20N3O2S+ MolecularWeight: 282.3818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(C[NH2+]C)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SC[C@@H](C[NH2+]C)O

InChI

InChI=1S/C13H19N3O2S/c1-3-18-10-4-5-11-12(6-10)16-13(15-11)19-8-9(17)7-14-2/h4-6,9,14,17H,3,7-8H2,1-2H3,(H,15,16)/p+1/t9-/m1/s1