2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanenitrile

Systemtic Name: 2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanenitrile Openeye Name: 2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile CAS Name: 2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile IUPAC Name: 2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile Traditional Name: 2-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)CC#N)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)CC#N)OC

InChI

InChI=1S/C13H16N2O2/c1-16-12-7-9-4-6-15-11(3-5-14)10(9)8-13(12)17-2/h7-8,11,15H,3-4,6H2,1-2H3/p+1/t11-/m1/s1