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

Systemtic Name: (2R)-2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid Openeye Name: (2R)-2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid CAS Name: (2R)-2-[6,7-dimethoxy-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]propanoic acid IUPAC Name: (2R)-2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propanoic acid Traditional Name: (2R)-2-[6,7-dimethoxy-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]propionic acid Formula: C21H22NO5+ MolecularWeight: 368.40308

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-13(21(23)24)22-12-16-11-20(27-4)19(26-3)10-15(16)9-18(22)14-5-7-17(25-2)8-6-14/h5-13H,1-4H3/p+1/t13-/m1/s1