2-methyl-7-[(R)-(4-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-(4-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-p-tolyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-(4-methylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-(4-methylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-p-tolyl-(pyridin-1-ium-2-ylamino)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)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

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