(2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoic acid

Systemtic Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoic acid Openeye Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoic acid CAS Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]propanoic acid IUPAC Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]propanoic acid Traditional Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propionic acid Formula: C22H24NO6+ MolecularWeight: 398.42906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)OC)OC)OC)OC

Isomeric SMILES

C[C@H](C(=O)O)[N+]1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)OC)OC)OC)OC

InChI

InChI=1S/C22H23NO6/c1-13(22(24)25)23-12-16-11-21(29-5)20(28-4)10-15(16)8-17(23)14-6-7-18(26-2)19(9-14)27-3/h6-13H,1-5H3/p+1/t13-/m1/s1