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

Systemtic Name: ethyl 2-ethyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Openeye Name: ethyl 2-ethyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate CAS Name: 2-ethyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid ethyl ester; methyl sulfate IUPAC Name: ethyl 2-ethyl-3,4-dihydroisoquinolin-2-ium-1-carboxylate; methyl sulfate Traditional Name: 2-ethyl-3,4-dihydroisoquinolin-2-ium-1-carboxylic acid ethyl ester; methyl sulfate Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO2.CH4O4S/c1-3-15-10-9-11-7-5-6-8-12(11)13(15)14(16)17-4-2;1-5-6(2,3)4/h5-8H,3-4,9-10H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1