7-[(R)-(2-chloranyl-6-fluoranyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(R)-(2-chloranyl-6-fluoranyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(R)-(2-chloro-6-fluoro-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(R)-(2-chloro-6-fluorophenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(R)-(2-chloro-6-fluorophenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(R)-(2-chloro-6-fluoro-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C22H18ClFN3O+ MolecularWeight: 394.849223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=C(C=CC=C3Cl)F)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=C(C=CC=C3Cl)F)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H17ClFN3O/c1-13-8-9-14-10-11-15(22(28)20(14)26-13)21(27-18-7-2-3-12-25-18)19-16(23)5-4-6-17(19)24/h2-12,21,28H,1H3,(H,25,27)/p+1/t21-/m1/s1