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

Systemtic Name: 2-[(4-chloranylphenoxy)methyl]-4-(2-piperidin-1-ium-4-ylethoxy)-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazole; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-[(4-chlorophenoxy)methyl]-4-(2-piperidin-1-ium-4-ylethoxy)-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazole; 2,2,2-trifluoroacetate CAS Name: 2-[(4-chlorophenoxy)methyl]-4-[2-(4-piperidin-1-iumyl)ethoxy]-1-[3-(3-piperidin-1-iumyl)propyl]benzimidazole; 2,2,2-trifluoroacetate IUPAC Name: 2-[(4-chlorophenoxy)methyl]-4-(2-piperidin-1-ium-4-ylethoxy)-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazole; 2,2,2-trifluoroacetate Traditional Name: 2-[(4-chlorophenoxy)methyl]-4-(2-piperidin-1-ium-4-ylethoxy)-1-(3-piperidin-1-ium-3-ylpropyl)benzimidazole; 2,2,2-trifluoroacetate Formula: C33H41ClF6N4O6 MolecularWeight: 739.145259

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)CCCN2C3=C(C(=CC=C3)OCCC4CC[NH2+]CC4)N=C2COC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CC(C[NH2+]C1)CCCN2C3=C(C(=CC=C3)OCCC4CC[NH2+]CC4)N=C2COC5=CC=C(C=C5)Cl.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C29H39ClN4O2.2C2HF3O2/c30-24-8-10-25(11-9-24)36-21-28-33-29-26(34(28)18-3-5-23-4-2-15-32-20-23)6-1-7-27(29)35-19-14-22-12-16-31-17-13-22;2*3-2(4,5)1(6)7/h1,6-11,22-23,31-32H,2-5,12-21H2;2*(H,6,7)