N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-(3-furylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide CAS Name: N-[2-(3-furanylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(furan-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-(3-furfuryl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]picolinamide Formula: C20H20N3O2+ MolecularWeight: 334.3917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)CC4=COC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)CC4=COC=C4

InChI

InChI=1S/C20H19N3O2/c24-20(19-3-1-2-8-21-19)22-18-5-4-16-6-9-23(13-17(16)11-18)12-15-7-10-25-14-15/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,22,24)/p+1