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

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H18N3O3+ MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=[NH+]5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@H](C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=[NH+]5

InChI

InChI=1S/C22H17N3O3/c26-22-16(8-6-14-4-3-11-24-21(14)22)20(25-19-5-1-2-10-23-19)15-7-9-17-18(12-15)28-13-27-17/h1-12,20,26H,13H2,(H,23,25)/p+1/t20-/m1/s1