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

Systemtic Name: 7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 7-[(R)-[4-(methylthio)phenyl]-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 7-[(R)-[4-(methylthio)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H20N3OS+ MolecularWeight: 374.4787

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H](C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H19N3OS/c1-27-17-10-7-16(8-11-17)20(25-19-6-2-3-13-23-19)18-12-9-15-5-4-14-24-21(15)22(18)26/h2-14,20,26H,1H3,(H,23,25)/p+1/t20-/m1/s1