7-[(R)-(5-methyl-2-oxidanyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(5-methyl-2-oxidanyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(R)-(2-hydroxy-5-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(R)-(2-hydroxy-5-methylphenyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(R)-(2-hydroxy-5-methylphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(R)-(2-hydroxy-5-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C23H22N3O2+ MolecularWeight: 372.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C

InChI

InChI=1S/C23H21N3O2/c1-14-5-8-19(27)18(12-14)22(26-20-13-15(2)9-11-24-20)17-7-6-16-4-3-10-25-21(16)23(17)28/h3-13,22,27-28H,1-2H3,(H,24,26)/p+1/t22-/m0/s1