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

Systemtic Name: 7-[(R)-(3-ethoxy-4-phenylmethoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-benzyloxy-3-ethoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol CAS Name: 7-[(R)-(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methyl-2-pyridin-1-iumyl)amino]methyl]-8-quinolinol IUPAC Name: 7-[(R)-(3-ethoxy-4-phenylmethoxyphenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-benzoxy-3-ethoxy-phenyl)-[(4-methylpyridin-1-ium-2-yl)amino]methyl]quinolin-8-ol Formula: C31H30N3O3+ MolecularWeight: 492.5882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=[NH+]C=CC(=C4)C)OCC5=CC=CC=C5

InChI

InChI=1S/C31H29N3O3/c1-3-36-27-19-24(12-14-26(27)37-20-22-8-5-4-6-9-22)29(34-28-18-21(2)15-17-32-28)25-13-11-23-10-7-16-33-30(23)31(25)35/h4-19,29,35H,3,20H2,1-2H3,(H,32,34)/p+1/t29-/m1/s1