6-(hydroxymethyl)-3-oxidanyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 6-(hydroxymethyl)-3-oxidanyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 3-hydroxy-6-(hydroxymethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 3-hydroxy-6-(hydroxymethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 3-hydroxy-6-(hydroxymethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 3-hydroxy-6-methylol-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C16H17NO4/c18-10-13-7-14(19)16(20)15(21-13)9-17-6-5-11-3-1-2-4-12(11)8-17/h1-4,7,18,20H,5-6,8-10H2/p+1