(1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol

Systemtic Name: (1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol Openeye Name: (1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol CAS Name: (1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol IUPAC Name: (1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol Traditional Name: (1S,4R)-7-methoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,6-diol Formula: C12H18NO3+ MolecularWeight: 224.27622

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C(C[NH+]1C)O)O)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2[C@H](C[NH+]1C)O)O)OC

InChI

InChI=1S/C12H17NO3/c1-7-8-5-12(16-3)10(14)4-9(8)11(15)6-13(7)2/h4-5,7,11,14-15H,6H2,1-3H3/p+1/t7-,11-/m0/s1