5-(hydroxymethyl)-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-2-olate

Systemtic Name: 5-(hydroxymethyl)-4-oxidanylidene-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-2-olate Openeye Name: 5-(hydroxymethyl)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-2-olate CAS Name: 5-(hydroxymethyl)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-2-pyranolate IUPAC Name: 5-(hydroxymethyl)-4-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-2-olate Traditional Name: 4-keto-5-methylol-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-2-olate Formula: C16H17NO4 MolecularWeight: 287.31048

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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