7-[(R)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol

Systemtic Name: 7-[(R)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-isopropylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-(4-propan-2-ylphenyl)-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-propan-2-ylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-p-cumenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C24H24N3O+ MolecularWeight: 370.46686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O/c1-16(2)17-8-10-19(11-9-17)22(27-21-7-3-4-14-25-21)20-13-12-18-6-5-15-26-23(18)24(20)28/h3-16,22,28H,1-2H3,(H,25,27)/p+1/t22-/m1/s1