N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H20N3O+ MolecularWeight: 306.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C19H19N3O/c20-11-9-15-5-7-18(8-6-15)21-19(23)14-22-12-10-16-3-1-2-4-17(16)13-22/h1-8H,9-10,12-14H2,(H,21,23)/p+1