N-(2-adamantyl)-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: N-(2-adamantyl)-2-oxidanylidene-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: N-(2-adamantyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: N-(2-adamantyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: N-(2-adamantyl)-2-oxo-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: N-(2-adamantyl)-2-keto-6-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-pyridine-3-carboxamide Formula: C26H32N3O2+ MolecularWeight: 418.55118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C(=O)N3)C(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C(=O)N3)C(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H31N3O2/c30-25-23(26(31)28-24-20-10-16-9-17(12-20)13-21(24)11-16)6-5-22(27-25)15-29-8-7-18-3-1-2-4-19(18)14-29/h1-6,16-17,20-21,24H,7-15H2,(H,27,30)(H,28,31)/p+1