4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile

Systemtic Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Openeye Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile CAS Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile IUPAC Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butanenitrile Traditional Name: 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyronitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CCCC#N)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CCCC#N)OC

InChI

InChI=1S/C15H20N2O2/c1-18-14-9-12-5-8-17(7-4-3-6-16)11-13(12)10-15(14)19-2/h9-10H,3-5,7-8,11H2,1-2H3/p+1