[(1S)-3-methylsulfanyl-1-[1-(3-oxidanylpropyl)benzimidazol-2-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-[1-(3-oxidanylpropyl)benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-1-[1-(3-hydroxypropyl)benzimidazol-2-yl]-3-methylsulfanyl-propyl]ammonium CAS Name: [(1S)-1-[1-(3-hydroxypropyl)-2-benzimidazolyl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[1-(3-hydroxypropyl)benzimidazol-2-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-1-[1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(methylthio)propyl]ammonium Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CCCO)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CCCO)[NH3+]

InChI

InChI=1S/C14H21N3OS/c1-19-10-7-11(15)14-16-12-5-2-3-6-13(12)17(14)8-4-9-18/h2-3,5-6,11,18H,4,7-10,15H2,1H3/p+1/t11-/m0/s1