2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-methylthiophen-2-yl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-methylthiophen-2-yl)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-methyl-2-thienyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(S)-[(6-methyl-2-pyridin-1-iumyl)amino]-(3-methyl-2-thiophenyl)methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-methylthiophen-2-yl)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(S)-[(6-methylpyridin-1-ium-2-yl)amino]-(3-methyl-2-thienyl)methyl]quinolin-8-ol Formula: C22H22N3OS+ MolecularWeight: 376.49458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC(=[NH+]4)C

Isomeric SMILES

CC1=C(SC=C1)[C@H](C2=C(C3=C(C=CC(=N3)C)C=C2)O)NC4=CC=CC(=[NH+]4)C

InChI

InChI=1S/C22H21N3OS/c1-13-11-12-27-22(13)20(25-18-6-4-5-14(2)23-18)17-10-9-16-8-7-15(3)24-19(16)21(17)26/h4-12,20,26H,1-3H3,(H,23,25)/p+1/t20-/m0/s1