3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propane-1-sulfonate

Systemtic Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propane-1-sulfonate Openeye Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propane-1-sulfonate CAS Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-propanesulfonate IUPAC Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propane-1-sulfonate Traditional Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]propane-1-sulfonate Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CCCS(=O)(=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CCCS(=O)(=O)[O-])C3=CC=CC=C3)OC

InChI

InChI=1S/C20H25NO5S/c1-25-18-13-16-9-11-21(10-6-12-27(22,23)24)20(15-7-4-3-5-8-15)17(16)14-19(18)26-2/h3-5,7-8,13-14,20H,6,9-12H2,1-2H3,(H,22,23,24)/t20-/m1/s1