6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate

Systemtic Name: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate Openeye Name: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate CAS Name: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate IUPAC Name: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate Traditional Name: 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinolin-2-ium mesylate Formula: C22H27NO8S MolecularWeight: 465.51668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5.CH4O3S/c1-23-17-9-15-12-22-11-14(16(15)10-18(17)24-2)6-13-7-19(25-3)21(27-5)20(8-13)26-4;1-5(2,3)4/h7-12H,6H2,1-5H3;1H3,(H,2,3,4)