7-[(R)-(3-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(3-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(3-allyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(3-prop-2-enoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(3-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-(3-allyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C24H22N3O2+ MolecularWeight: 384.45038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c1-2-15-29-19-9-5-7-18(16-19)22(27-21-10-3-4-13-25-21)20-12-11-17-8-6-14-26-23(17)24(20)28/h2-14,16,22,28H,1,15H2,(H,25,27)/p+1/t22-/m1/s1