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

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-[(R)-(pyridin-1-ium-2-ylamino)-thiophen-3-yl-methyl]pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(pyridin-1-ium-2-ylamino)-(3-thienyl)methyl]pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(2-pyridin-1-iumylamino)-(3-thiophenyl)methyl]-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-[(R)-(pyridin-1-ium-2-ylamino)-thiophen-3-ylmethyl]pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-[(R)-(pyridin-1-ium-2-ylamino)-(3-thienyl)methyl]pyran-4-one Formula: C16H15N2O4S+ MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=CSC=C2)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)N[C@H](C2=CSC=C2)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C16H14N2O4S/c19-8-11-7-12(20)15(21)16(22-11)14(10-4-6-23-9-10)18-13-3-1-2-5-17-13/h1-7,9,14,19,21H,8H2,(H,17,18)/p+1/t14-/m1/s1