7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-5-chloranyl-quinolin-8-ol

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-5-chloranyl-quinolin-8-ol Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-5-chloro-quinolin-8-ol CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-(2-pyridin-1-iumylamino)methyl]-5-chloro-8-quinolinol IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-5-chloroquinolin-8-ol Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]-5-chloro-quinolin-8-ol Formula: C22H17ClN3O3+ MolecularWeight: 406.84168

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC(=C4C=CC=NC4=C3O)Cl)NC5=CC=CC=[NH+]5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H](C3=CC(=C4C=CC=NC4=C3O)Cl)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C22H16ClN3O3/c23-16-11-15(22(27)21-14(16)4-3-9-25-21)20(26-19-5-1-2-8-24-19)13-6-7-17-18(10-13)29-12-28-17/h1-11,20,27H,12H2,(H,24,26)/p+1/t20-/m1/s1