[(2S)-3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(1H-benzimidazol-2-ylsulfanyl)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(1H-benzimidazol-2-ylthio)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(1H-benzimidazol-2-ylsulfanyl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(1H-benzimidazol-2-ylthio)-2-hydroxy-propyl]-methyl-ammonium Formula: C11H16N3OS+ MolecularWeight: 238.32924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(CSC1=NC2=CC=CC=C2N1)O

Isomeric SMILES

C[NH2+]C[C@@H](CSC1=NC2=CC=CC=C2N1)O

InChI

InChI=1S/C11H15N3OS/c1-12-6-8(15)7-16-11-13-9-4-2-3-5-10(9)14-11/h2-5,8,12,15H,6-7H2,1H3,(H,13,14)/p+1/t8-/m0/s1