7-[(R)-(3-bromanyl-4,5-dimethoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(3-bromanyl-4,5-dimethoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(3-bromo-4,5-dimethoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(3-bromo-4,5-dimethoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(3-bromo-4,5-dimethoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(3-bromo-4,5-dimethoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C23H21BrN3O3+ MolecularWeight: 467.33514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)Br)OC

InChI

InChI=1S/C23H20BrN3O3/c1-29-18-13-15(12-17(24)23(18)30-2)20(27-19-7-3-4-10-25-19)16-9-8-14-6-5-11-26-21(14)22(16)28/h3-13,20,28H,1-2H3,(H,25,27)/p+1/t20-/m1/s1