3-iodanyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide

Systemtic Name: 3-iodanyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Openeye Name: 3-iodo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide CAS Name: 3-iodo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide IUPAC Name: 3-iodo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Traditional Name: 3-iodo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzamide Formula: C18H20IN2O+ MolecularWeight: 407.26867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C18H19IN2O/c19-17-7-3-6-15(12-17)18(22)20-9-11-21-10-8-14-4-1-2-5-16(14)13-21/h1-7,12H,8-11,13H2,(H,20,22)/p+1