1-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]propan-2-ol

Systemtic Name: 1-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Openeye Name: 1-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]propan-2-ol CAS Name: 1-(1-benzotriazolyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]-2-propanol IUPAC Name: 1-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Traditional Name: 1-(benzotriazol-1-yl)-3-[2-(trifluoromethyl)-3H-benzimidazol-1-ium-1-yl]propan-2-ol Formula: C17H15F3N5O+ MolecularWeight: 362.32911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[N+]2CC(CN3C4=CC=CC=C4N=N3)O)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[N+]2CC(CN3C4=CC=CC=C4N=N3)O)C(F)(F)F

InChI

InChI=1S/C17H14F3N5O/c18-17(19,20)16-21-12-5-1-3-7-14(12)24(16)9-11(26)10-25-15-8-4-2-6-13(15)22-23-25/h1-8,11,26H,9-10H2/p+1