7-[(R)-(3-ethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(R)-(3-ethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(R)-(3-ethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(R)-(3-ethoxyphenyl)-[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(R)-(3-ethoxyphenyl)-[(6-methylpyridin-1-ium-2-yl)amino]methyl]-2-methylquinolin-8-ol Traditional Name: 2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-m-phenetyl-methyl]quinolin-8-ol Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC(=[NH+]4)C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC(=[NH+]4)C

InChI

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