2-[[(1R)-3-cyano-1-methyl-cyclohex-2-en-1-yl]methyl]-6-methoxy-isoquinolin-2-ium-4-olate

Systemtic Name: 2-[[(1R)-3-cyano-1-methyl-cyclohex-2-en-1-yl]methyl]-6-methoxy-isoquinolin-2-ium-4-olate Openeye Name: 2-[[(1R)-3-cyano-1-methyl-cyclohex-2-en-1-yl]methyl]-6-methoxy-isoquinolin-2-ium-4-olate CAS Name: 2-[[(1R)-3-cyano-1-methyl-1-cyclohex-2-enyl]methyl]-6-methoxy-4-isoquinolin-2-iumolate IUPAC Name: 2-[[(1R)-3-cyano-1-methylcyclohex-2-en-1-yl]methyl]-6-methoxyisoquinolin-2-ium-4-olate Traditional Name: 2-[[(1R)-3-cyano-1-methyl-cyclohex-2-en-1-yl]methyl]-6-methoxy-isoquinolin-2-ium-4-olate Formula: C19H20N2O2 MolecularWeight: 308.3743

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=C1)C#N)C[N+]2=CC(=C3C=C(C=CC3=C2)OC)[O-]

Isomeric SMILES

C[C@]1(CCCC(=C1)C#N)C[N+]2=CC(=C3C=C(C=CC3=C2)OC)[O-]

InChI

InChI=1S/C19H20N2O2/c1-19(7-3-4-14(9-19)10-20)13-21-11-15-5-6-16(23-2)8-17(15)18(22)12-21/h5-6,8-9,11-12H,3-4,7,13H2,1-2H3/t19-/m1/s1