N-[2-(quinolin-6-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide

Systemtic Name: N-[2-(quinolin-6-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Openeye Name: N-[2-(6-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide CAS Name: N-[2-(6-quinolinylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-pyridinecarboxamide IUPAC Name: N-[2-(quinolin-6-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-2-carboxamide Traditional Name: N-[2-(6-quinolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]picolinamide Formula: C25H23N4O+ MolecularWeight: 395.47632

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=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=N3)CC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C25H22N4O/c30-25(24-5-1-2-11-27-24)28-22-8-7-19-10-13-29(17-21(19)15-22)16-18-6-9-23-20(14-18)4-3-12-26-23/h1-9,11-12,14-15H,10,13,16-17H2,(H,28,30)/p+1