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

Systemtic Name: 7-[(S)-(5-bromanyl-2-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-chloranyl-quinolin-8-ol Openeye Name: 7-[(S)-(5-bromo-2-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-chloro-quinolin-8-ol CAS Name: 7-[(S)-(5-bromo-2-methoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-5-chloro-8-quinolinol IUPAC Name: 7-[(S)-(5-bromo-2-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-chloroquinolin-8-ol Traditional Name: 7-[(S)-(5-bromo-2-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-5-chloro-quinolin-8-ol Formula: C22H18BrClN3O2+ MolecularWeight: 471.75422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H17BrClN3O2/c1-29-18-8-7-13(23)11-15(18)20(27-19-6-2-3-9-25-19)16-12-17(24)14-5-4-10-26-21(14)22(16)28/h2-12,20,28H,1H3,(H,25,27)/p+1/t20-/m1/s1