7-[(R)-(4-ethoxy-3-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(4-ethoxy-3-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-ethoxy-3-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(R)-(4-ethoxy-3-methylphenyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-ethoxy-3-methylphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-ethoxy-3-methyl-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C)C

InChI

InChI=1S/C25H25N3O2/c1-4-30-21-10-8-19(15-17(21)3)23(28-22-14-16(2)11-13-26-22)20-9-7-18-6-5-12-27-24(18)25(20)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1