7-[(R)-(4-methylphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(4-methylphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(p-tolyl)methyl]quinolin-8-ol CAS Name: 7-[(R)-(4-methylphenyl)-[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-methylphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(p-tolyl)methyl]quinolin-8-ol Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-15-8-10-18(11-9-15)21(26-20-7-3-5-16(2)25-20)19-13-12-17-6-4-14-24-22(17)23(19)27/h3-14,21,27H,1-2H3,(H,25,26)/p+1/t21-/m1/s1