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

Systemtic Name: 4-[(3,4-dichlorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate Openeye Name: 4-[(3,4-dichlorophenyl)methyl]-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate CAS Name: 4-[(3,4-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate IUPAC Name: 4-[(3,4-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate Traditional Name: 4-(3,4-dichlorobenzyl)-6,7-dimethoxy-isoquinolin-2-ium mesylate Formula: C19H19Cl2NO5S MolecularWeight: 444.32886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC(=C(C=C3)Cl)Cl)OC.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC(=C(C=C3)Cl)Cl)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C18H15Cl2NO2.CH4O3S/c1-22-17-7-13-10-21-9-12(14(13)8-18(17)23-2)5-11-3-4-15(19)16(20)6-11;1-5(2,3)4/h3-4,6-10H,5H2,1-2H3;1H3,(H,2,3,4)