(2S)-1-[[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol

Systemtic Name: (2S)-1-[[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Openeye Name: (2S)-1-[[3-[(5-phenylisoxazol-3-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol CAS Name: (2S)-1-[[3-[(5-phenyl-3-isoxazolyl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]-2-propanol IUPAC Name: (2S)-1-[[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Traditional Name: (2S)-1-[[3-[(5-phenylisoxazol-3-yl)methyl]-1H-benzimidazol-3-ium-2-yl]amino]propan-2-ol Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=[N+](C2=CC=CC=C2N1)CC3=NOC(=C3)C4=CC=CC=C4)O

Isomeric SMILES

C[C@@H](CNC1=[N+](C2=CC=CC=C2N1)CC3=NOC(=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C20H20N4O2/c1-14(25)12-21-20-22-17-9-5-6-10-18(17)24(20)13-16-11-19(26-23-16)15-7-3-2-4-8-15/h2-11,14,25H,12-13H2,1H3,(H,21,22)/p+1/t14-/m0/s1