N-(3-chloranyl-4-cyano-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H17ClN3O+ MolecularWeight: 326.80008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C18H16ClN3O/c19-17-9-16(6-5-14(17)10-20)21-18(23)12-22-8-7-13-3-1-2-4-15(13)11-22/h5-9,11H,1-4,12H2/p+1