7-[(R)-(4-ethoxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol

Systemtic Name: 7-[(R)-(4-ethoxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Openeye Name: 7-[(R)-(4-ethoxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 7-[(R)-(4-ethoxy-3-methoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-2-methyl-8-quinolinol IUPAC Name: 7-[(R)-(4-ethoxy-3-methoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methylquinolin-8-ol Traditional Name: 7-[(R)-(4-ethoxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C25H26N3O3+ MolecularWeight: 416.49224

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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)C=C2)O)NC4=CC=CC=[NH+]4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3/c1-4-31-20-13-11-18(15-21(20)30-3)23(28-22-7-5-6-14-26-22)19-12-10-17-9-8-16(2)27-24(17)25(19)29/h5-15,23,29H,4H2,1-3H3,(H,26,28)/p+1/t23-/m1/s1