(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H19N2O3+ MolecularWeight: 311.35506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)[C@H]3CC4=CC=CC=C4C[NH2+]3

InChI

InChI=1S/C18H18N2O3/c21-18(15-9-12-3-1-2-4-13(12)11-19-15)20-14-5-6-16-17(10-14)23-8-7-22-16/h1-6,10,15,19H,7-9,11H2,(H,20,21)/p+1/t15-/m1/s1