(2R)-3-oxidanylidene-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile

Systemtic Name: (2R)-3-oxidanylidene-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: (2R)-3-oxo-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: (2R)-3-oxo-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: (2R)-3-oxo-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: (2R)-3-keto-2-phenyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C19H19N2O+ MolecularWeight: 291.36696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O/c20-12-18(16-7-2-1-3-8-16)19(22)14-21-11-10-15-6-4-5-9-17(15)13-21/h1-9,18H,10-11,13-14H2/p+1/t18-/m0/s1