3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanenitrile

Systemtic Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanenitrile Openeye Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanenitrile CAS Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanenitrile IUPAC Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propanenitrile Traditional Name: 3-[(1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propionitrile Formula: C15H21N2O2+ MolecularWeight: 261.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CC[NH+]1CCC#N)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CC[NH+]1CCC#N)OC)OC

InChI

InChI=1S/C15H20N2O2/c1-11-13-10-15(19-3)14(18-2)9-12(13)5-8-17(11)7-4-6-16/h9-11H,4-5,7-8H2,1-3H3/p+1/t11-/m0/s1