N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=CC=C1N(CCC#N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H23N3O2/c1-26-20-10-5-4-9-19(20)24(13-6-12-22)21(25)16-23-14-11-17-7-2-3-8-18(17)15-23/h2-5,7-10H,6,11,13-16H2,1H3/p+1