2-(7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanenitrile

Systemtic Name: 2-(7-methoxy-2-methyl-6-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethanenitrile Openeye Name: 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile CAS Name: 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile IUPAC Name: 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile Traditional Name: 2-(6-hydroxy-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)acetonitrile Formula: C13H17N2O2+ MolecularWeight: 233.28628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC2=CC(=C(C=C2C1)OC)O)CC#N

Isomeric SMILES

C[N+]1(CCC2=CC(=C(C=C2C1)OC)O)CC#N

InChI

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