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

Systemtic Name: [(2S)-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[(6-methoxy-1H-benzimidazol-2-yl)thio]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-[(6-methoxy-1H-benzimidazol-2-yl)thio]propyl]-methyl-ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CSC1=NC2=C(N1)C=C(C=C2)OC)O

Isomeric SMILES

C[NH2+]C[C@@H](CSC1=NC2=C(N1)C=C(C=C2)OC)O

InChI

InChI=1S/C12H17N3O2S/c1-13-6-8(16)7-18-12-14-10-4-3-9(17-2)5-11(10)15-12/h3-5,8,13,16H,6-7H2,1-2H3,(H,14,15)/p+1/t8-/m0/s1