2-methyl-7-[(S)-(4-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-(4-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(S)-(4-allyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol CAS Name: 2-methyl-7-[(S)-(4-prop-2-enoxyphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-(4-prop-2-enoxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(S)-(4-allyloxyphenyl)-(pyridin-1-ium-2-ylamino)methyl]-2-methyl-quinolin-8-ol Formula: C25H24N3O2+ MolecularWeight: 398.47696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=C(C=C3)OCC=C)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC(=C2O)[C@H](C3=CC=C(C=C3)OCC=C)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C25H23N3O2/c1-3-16-30-20-12-9-18(10-13-20)23(28-22-6-4-5-15-26-22)21-14-11-19-8-7-17(2)27-24(19)25(21)29/h3-15,23,29H,1,16H2,2H3,(H,26,28)/p+1/t23-/m0/s1