(2S)-1-[[3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol

Systemtic Name: (2S)-1-[[3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Openeye Name: (2S)-1-[[3-[[2-(2-thienyl)oxazol-4-yl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol CAS Name: (2S)-1-[[3-[(2-thiophen-2-yl-4-oxazolyl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]-2-propanol IUPAC Name: (2S)-1-[[3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Traditional Name: (2S)-1-[[3-[[2-(2-thienyl)oxazol-4-yl]methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[N+](C2=CC=CC=C2N1)CC3=COC(=N3)C4=CC=CS4)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC3=COC(=N3)C4=CC=CS4)O

InChI

InChI=1S/C18H18N4O2S/c1-12(23)9-19-18-21-14-5-2-3-6-15(14)22(18)10-13-11-24-17(20-13)16-7-4-8-25-16/h2-8,11-12,23H,9-10H2,1H3,(H,19,21)/p+1/t12-/m0/s1