2-[(4-chloranylphenoxy)methyl]-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazol-4-ol; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazol-4-ol; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazol-4-ol; 2,2,2-trifluoroacetate CAS Name: 2-[(4-chlorophenoxy)methyl]-1-[3-(3-piperidin-1-iumyl)propyl]-4-benzimidazolol; 2,2,2-trifluoroacetate IUPAC Name: 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazol-4-ol; 2,2,2-trifluoroacetate Traditional Name: 2-[(4-chlorophenoxy)methyl]-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazol-4-ol; 2,2,2-trifluoroacetate Formula: C24H27ClF3N3O4 MolecularWeight: 513.93709

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CCCN2C3=C(C(=CC=C3)O)N=C2COC4=CC=C(C=C4)Cl.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CC(C[NH2+]C1)CCCN2C3=C(C(=CC=C3)O)N=C2COC4=CC=C(C=C4)Cl.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H26ClN3O2.C2HF3O2/c23-17-8-10-18(11-9-17)28-15-21-25-22-19(6-1-7-20(22)27)26(21)13-3-5-16-4-2-12-24-14-16;3-2(4,5)1(6)7/h1,6-11,16,24,27H,2-5,12-15H2;(H,6,7)