5-chloranyl-7-[(S)-(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 5-chloranyl-7-[(S)-(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(S)-(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(S)-(2-fluorophenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(S)-(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(S)-(2-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H16ClFN3O+ MolecularWeight: 380.822643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4)F

Isomeric SMILES

C1=CC=C(C(=C1)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4)F

InChI

InChI=1S/C21H15ClFN3O/c22-16-12-15(21(27)20-13(16)7-5-11-25-20)19(14-6-1-2-8-17(14)23)26-18-9-3-4-10-24-18/h1-12,19,27H,(H,24,26)/p+1/t19-/m1/s1