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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OCC

InChI

InChI=1S/C21H26N2O3/c1-3-25-19-10-9-18(13-20(19)26-4-2)22-21(24)15-23-12-11-16-7-5-6-8-17(16)14-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)/p+1