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

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-cyanoethyl)-N-p-phenetyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C22H25N3O2/c1-2-27-21-10-8-20(9-11-21)25(14-5-13-23)22(26)17-24-15-12-18-6-3-4-7-19(18)16-24/h3-4,6-11H,2,5,12,14-17H2,1H3/p+1