(3R)-3-[(6-methoxy-4-oxidanyl-isoquinolin-2-ium-2-yl)methyl]-3-methyl-cyclohexene-1-carbonitrile

Systemtic Name: (3R)-3-[(6-methoxy-4-oxidanyl-isoquinolin-2-ium-2-yl)methyl]-3-methyl-cyclohexene-1-carbonitrile Openeye Name: (3R)-3-[(4-hydroxy-6-methoxy-isoquinolin-2-ium-2-yl)methyl]-3-methyl-cyclohexene-1-carbonitrile CAS Name: (3R)-3-[(4-hydroxy-6-methoxy-2-isoquinolin-2-iumyl)methyl]-3-methyl-1-cyclohexenecarbonitrile IUPAC Name: (3R)-3-[(4-hydroxy-6-methoxyisoquinolin-2-ium-2-yl)methyl]-3-methylcyclohexene-1-carbonitrile Traditional Name: (3R)-3-[(4-hydroxy-6-methoxy-isoquinolin-2-ium-2-yl)methyl]-3-methyl-cyclohexene-1-carbonitrile Formula: C19H21N2O2+ MolecularWeight: 309.38224

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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/p+1/t19-/m1/s1