7-[(R)-1,3-benzodioxol-5-yl-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-1,3-benzodioxol-5-yl-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(R)-1,3-benzodioxol-5-yl-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(R)-1,3-benzodioxol-5-yl-[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(R)-1,3-benzodioxol-5-yl-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(R)-1,3-benzodioxol-5-yl-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C23H20N3O3+ MolecularWeight: 386.4232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC=N5)C=C4)O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N[C@H](C2=CC3=C(C=C2)OCO3)C4=C(C5=C(C=CC=N5)C=C4)O

InChI

InChI=1S/C23H19N3O3/c1-14-4-2-6-20(25-14)26-21(16-8-10-18-19(12-16)29-13-28-18)17-9-7-15-5-3-11-24-22(15)23(17)27/h2-12,21,27H,13H2,1H3,(H,25,26)/p+1/t21-/m1/s1