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

Systemtic Name: 2-methyl-7-[(S)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-[4-(methylthio)phenyl]-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-[4-(methylthio)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C23H22N3OS+ MolecularWeight: 388.50528

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)SC)NC4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3OS/c1-15-6-7-17-10-13-19(23(27)22(17)25-15)21(26-20-5-3-4-14-24-20)16-8-11-18(28-2)12-9-16/h3-14,21,27H,1-2H3,(H,24,26)/p+1/t21-/m0/s1