methyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate

Systemtic Name: methyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Openeye Name: methyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate CAS Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid methyl ester; methyl sulfate IUPAC Name: methyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Traditional Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid methyl ester; methyl sulfate Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC=CC=C2CC1)C(=O)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C2=CC=CC=C2CC1)C(=O)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C12H14NO2.CH4O4S/c1-13-8-7-9-5-3-4-6-10(9)11(13)12(14)15-2;1-5-6(2,3)4/h3-6H,7-8H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1