6-(hydroxymethyl)-2-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-oxidanyl-pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-2-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]-3-oxidanyl-pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-[4-(methylthio)phenyl]-(2-pyridin-1-iumylamino)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(4-methylsulfanylphenyl)-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(R)-[4-(methylthio)phenyl]-(pyridin-1-ium-2-ylamino)methyl]pyran-4-one Formula: C19H19N2O4S+ MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=CC=C(C=C1)[C@H](C2=C(C(=O)C=C(O2)CO)O)NC3=CC=CC=[NH+]3

InChI

InChI=1S/C19H18N2O4S/c1-26-14-7-5-12(6-8-14)17(21-16-4-2-3-9-20-16)19-18(24)15(23)10-13(11-22)25-19/h2-10,17,22,24H,11H2,1H3,(H,20,21)/p+1/t17-/m1/s1