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

Systemtic Name: 2-methyl-7-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-phenyl-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-phenyl-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H20N3O+ MolecularWeight: 342.4137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O/c1-15-10-11-17-12-13-18(22(26)21(17)24-15)20(16-7-3-2-4-8-16)25-19-9-5-6-14-23-19/h2-14,20,26H,1H3,(H,23,25)/p+1/t20-/m0/s1