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

Systemtic Name: ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Openeye Name: ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate CAS Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid ethyl ester; methyl sulfate IUPAC Name: ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Traditional Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid ethyl ester; methyl sulfate Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](CCC2=CC=CC=C21)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](CCC2=CC=CC=C21)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H16NO2.CH4O4S/c1-3-16-13(15)12-11-7-5-4-6-10(11)8-9-14(12)2;1-5-6(2,3)4/h4-7H,3,8-9H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1