N-(5-chloranyl-2-phenoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C23H22ClN2O2+ MolecularWeight: 393.88598

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C23H21ClN2O2/c24-19-10-11-22(28-20-8-2-1-3-9-20)21(14-19)25-23(27)16-26-13-12-17-6-4-5-7-18(17)15-26/h1-11,14H,12-13,15-16H2,(H,25,27)/p+1