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

Systemtic Name: N-[2-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Openeye Name: N-(2-tetrahydropyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)pyridine-4-carboxamide CAS Name: N-[2-(4-oxanyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]pyridine-4-carboxamide Traditional Name: N-(2-tetrahydropyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)isonicotinamide Formula: C20H24N3O2+ MolecularWeight: 338.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

Isomeric SMILES

C1COCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C20H23N3O2/c24-20(16-3-8-21-9-4-16)22-18-2-1-15-5-10-23(14-17(15)13-18)19-6-11-25-12-7-19/h1-4,8-9,13,19H,5-7,10-12,14H2,(H,22,24)/p+1