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

Systemtic Name: 5-chloranyl-7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Openeye Name: 5-chloro-7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol CAS Name: 5-chloro-7-[(R)-[4-(methylthio)phenyl]-(2-pyridin-1-iumylamino)methyl]-8-quinolinol IUPAC Name: 5-chloro-7-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Traditional Name: 5-chloro-7-[(R)-[4-(methylthio)phenyl]-(pyridin-1-ium-2-ylamino)methyl]quinolin-8-ol Formula: C22H19ClN3OS+ MolecularWeight: 408.92376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H](C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H18ClN3OS/c1-28-15-9-7-14(8-10-15)20(26-19-6-2-3-11-24-19)17-13-18(23)16-5-4-12-25-21(16)22(17)27/h2-13,20,27H,1H3,(H,24,26)/p+1/t20-/m1/s1