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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

Isomeric SMILES

C1COCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=N4

InChI

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