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

Systemtic Name: 7-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-yl-methyl]quinolin-8-ol Openeye Name: 7-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-8-ol CAS Name: 7-[(S)-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-(2-pyridinyl)methyl]-8-quinolinol IUPAC Name: 7-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-pyridin-2-ylmethyl]quinolin-8-ol Traditional Name: 7-[(S)-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-(2-pyridyl)methyl]quinolin-8-ol Formula: C25H24FN4O+ MolecularWeight: 415.482663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1[C@@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN4O/c26-19-7-9-20(10-8-19)29-14-16-30(17-15-29)24(22-5-1-2-12-27-22)21-11-6-18-4-3-13-28-23(18)25(21)31/h1-13,24,31H,14-17H2/p+1/t24-/m0/s1