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

Systemtic Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoate Openeye Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propanoate CAS Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-isoquinolin-2-iumyl]propanoate IUPAC Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]propanoate Traditional Name: (2R)-2-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-ium-2-yl]propionate Formula: C22H23NO6 MolecularWeight: 397.42112

Click to see the large picture

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/t13-/m1/s1