7-[(R)-(2-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(2-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-o-tolyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(2-methylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(2-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-o-tolyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H20N3O+ MolecularWeight: 342.4137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H19N3O/c1-15-7-2-3-9-17(15)21(25-19-10-4-5-13-23-19)18-12-11-16-8-6-14-24-20(16)22(18)26/h2-14,21,26H,1H3,(H,23,25)/p+1/t21-/m1/s1