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

Systemtic Name: 7-[(R)-(3-methoxy-4-prop-2-enoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-allyloxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(3-methoxy-4-prop-2-enoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(3-methoxy-4-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(4-allyloxy-3-methoxy-phenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C25H24N3O3+ MolecularWeight: 414.47636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4)OCC=C

InChI

InChI=1S/C25H23N3O3/c1-3-15-31-20-12-10-18(16-21(20)30-2)23(28-22-8-4-5-13-26-22)19-11-9-17-7-6-14-27-24(17)25(19)29/h3-14,16,23,29H,1,15H2,2H3,(H,26,28)/p+1/t23-/m1/s1