5-chloranyl-7-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-1-ium-8-ol

Systemtic Name: 5-chloranyl-7-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-1-ium-8-ol Openeye Name: 5-chloro-7-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-1-ium-8-ol CAS Name: 5-chloro-7-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolin-1-iumol IUPAC Name: 5-chloro-7-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-ylmethyl]quinolin-1-ium-8-ol Traditional Name: 5-chloro-7-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-1-ium-8-ol Formula: C25H24ClFN4O+2 MolecularWeight: 450.935663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=N2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=N2)C3=CC(=C4C=CC=[NH+]C4=C3O)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H22ClFN4O/c26-21-16-20(25(32)23-19(21)4-3-11-29-23)24(22-5-1-2-10-28-22)31-14-12-30(13-15-31)18-8-6-17(27)7-9-18/h1-11,16,24,32H,12-15H2/p+2