(1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol

Systemtic Name: (1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol Openeye Name: (1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol CAS Name: (1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol IUPAC Name: (1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol Traditional Name: (1S,4R)-6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium-4,8-diol Formula: C13H20NO4+ MolecularWeight: 254.3022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-7-11-8(9(15)6-14(7)2)5-10(17-3)13(18-4)12(11)16/h5,7,9,15-16H,6H2,1-4H3/p+1/t7-,9-/m0/s1