7-[(S)-(6-methylpyridin-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(S)-(6-methylpyridin-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(6-methyl-2-pyridyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(S)-(6-methyl-2-pyridinyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(S)-(6-methylpyridin-2-yl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(6-methyl-2-pyridyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C21H19N4O+ MolecularWeight: 343.40176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O/c1-14-6-4-8-17(24-14)20(25-18-9-2-3-12-22-18)16-11-10-15-7-5-13-23-19(15)21(16)26/h2-13,20,26H,1H3,(H,22,25)/p+1/t20-/m0/s1