6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium; methanesulfonate

Systemtic Name: 6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium; methanesulfonate Openeye Name: 1-benzyl-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate CAS Name: 6,7-dimethoxy-1-(phenylmethyl)isoquinolin-2-ium; methanesulfonate IUPAC Name: 1-benzyl-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate Traditional Name: 1-benzyl-6,7-dimethoxy-isoquinolin-2-ium mesylate Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO2.CH4O3S/c1-20-17-11-14-8-9-19-16(15(14)12-18(17)21-2)10-13-6-4-3-5-7-13;1-5(2,3)4/h3-9,11-12H,10H2,1-2H3;1H3,(H,2,3,4)