1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]isonipecotamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H23N3O2/c18-17(22)14-6-9-20(10-7-14)16(21)12-19-8-5-13-3-1-2-4-15(13)11-19/h1-4,14H,5-12H2,(H2,18,22)/p+1