2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(4-methylsulfanylphenyl)methyl]quinolin-8-ol

Systemtic Name: 2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(4-methylsulfanylphenyl)methyl]quinolin-8-ol Openeye Name: 2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(4-methylsulfanylphenyl)methyl]quinolin-8-ol CAS Name: 2-methyl-7-[(R)-[(6-methyl-2-pyridin-1-iumyl)amino]-[4-(methylthio)phenyl]methyl]-8-quinolinol IUPAC Name: 2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-(4-methylsulfanylphenyl)methyl]quinolin-8-ol Traditional Name: 2-methyl-7-[(R)-[(6-methylpyridin-1-ium-2-yl)amino]-[4-(methylthio)phenyl]methyl]quinolin-8-ol Formula: C24H24N3OS+ MolecularWeight: 402.53186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(C2=CC=C(C=C2)SC)C3=C(C4=C(C=CC(=N4)C)C=C3)O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)N[C@H](C2=CC=C(C=C2)SC)C3=C(C4=C(C=CC(=N4)C)C=C3)O

InChI

InChI=1S/C24H23N3OS/c1-15-5-4-6-21(25-15)27-22(17-9-12-19(29-3)13-10-17)20-14-11-18-8-7-16(2)26-23(18)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)/p+1/t22-/m1/s1