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

Systemtic Name: [(1S)-3-methylsulfanyl-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[1-(3-phenoxypropyl)-2-benzimidazolyl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]ammonium Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1CCCOC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1CCCOC3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C20H25N3OS/c1-25-15-12-17(21)20-22-18-10-5-6-11-19(18)23(20)13-7-14-24-16-8-3-2-4-9-16/h2-6,8-11,17H,7,12-15,21H2,1H3/p+1/t17-/m0/s1