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

Systemtic Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]ethanenitrile Openeye Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile CAS Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile IUPAC Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile Traditional Name: 2-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]acetonitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)CC#N)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)CC#N)OCC

InChI

InChI=1S/C15H20N2O2/c1-3-18-14-9-11-6-8-17-13(5-7-16)12(11)10-15(14)19-4-2/h9-10,13,17H,3-6,8H2,1-2H3/p+1/t13-/m1/s1