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

Systemtic Name: 5-(hydroxymethyl)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 2-hydroxy-5-(hydroxymethyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 2-hydroxy-5-(hydroxymethyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 2-hydroxy-5-(hydroxymethyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 2-hydroxy-5-methylol-3-(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(OC=C(C3=O)CO)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(OC=C(C3=O)CO)O

InChI

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