2-oxidanidyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium

Systemtic Name: 2-oxidanidyl-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium Openeye Name: 2-oxido-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium CAS Name: 2-oxido-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium IUPAC Name: 2-oxido-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium Traditional Name: 2-oxido-1-(3,4,5-trimethoxybenzyl)isoquinolin-2-ium Formula: C19H19NO4 MolecularWeight: 325.35846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=[N+](C=CC3=CC=CC=C32)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=[N+](C=CC3=CC=CC=C32)[O-]

InChI

InChI=1S/C19H19NO4/c1-22-17-11-13(12-18(23-2)19(17)24-3)10-16-15-7-5-4-6-14(15)8-9-20(16)21/h4-9,11-12H,10H2,1-3H3