2-[2-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]oxyethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]oxyethyl]isoindole-1,3-dione Openeye Name: 2-[2-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-isoquinolin-2-ium-6-yl]oxyethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methyl-6-isoquinolin-2-iumyl]oxy]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2-methylisoquinolin-2-ium-6-yl]oxyethyl]isoindole-1,3-dione Traditional Name: 2-[2-(7-methoxy-2-methyl-1-veratryl-isoquinolin-2-ium-6-yl)oxyethyl]isoindoline-1,3-quinone Formula: C30H29N2O6+ MolecularWeight: 513.56106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)OCCN3C(=O)C4=CC=CC=C4C3=O)OC)CC5=CC(=C(C=C5)OC)OC

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)OCCN3C(=O)C4=CC=CC=C4C3=O)OC)CC5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C30H29N2O6/c1-31-12-11-20-17-28(38-14-13-32-29(33)21-7-5-6-8-22(21)30(32)34)27(37-4)18-23(20)24(31)15-19-9-10-25(35-2)26(16-19)36-3/h5-12,16-18H,13-15H2,1-4H3/q+1