8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate Openeye Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-carboxylate IUPAC Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4H-1,3-benzodioxin-6-carboxylate Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=CC4=C3OCOC4)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=CC4=C3OCOC4)C(=O)[O-]

InChI

InChI=1S/C19H19NO4/c21-19(22)15-7-16(18-17(8-15)11-23-12-24-18)10-20-6-5-13-3-1-2-4-14(13)9-20/h1-4,7-8H,5-6,9-12H2,(H,21,22)