7-[(R)-(2-bromanyl-5-oxidanyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(2-bromanyl-5-oxidanyl-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(2-bromo-5-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(2-bromo-5-hydroxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(2-bromo-5-hydroxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(2-bromo-5-hydroxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H17BrN3O2+ MolecularWeight: 423.28258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=C(C=CC(=C4)O)Br

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)C4=C(C=CC(=C4)O)Br

InChI

InChI=1S/C21H16BrN3O2/c22-17-9-7-14(26)12-16(17)20(25-18-5-1-2-10-23-18)15-8-6-13-4-3-11-24-19(13)21(15)27/h1-12,20,26-27H,(H,23,25)/p+1/t20-/m1/s1