2-(2-oxidanidyl-1-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)octan-3-yl hydrogen sulfate

Systemtic Name: 2-(2-oxidanidyl-1-oxidanyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)octan-3-yl hydrogen sulfate Openeye Name: 1-[1-(1-hydroxy-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethyl]hexyl hydrogen sulfate CAS Name: sulfuric acid 2-(1-hydroxy-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)octan-3-yl ester IUPAC Name: 2-(1-hydroxy-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)octan-3-yl hydrogen sulfate Traditional Name: sulfuric acid 1-[1-(1-hydroxy-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)ethyl]hexyl ester Formula: C17H27NO6S MolecularWeight: 373.46438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)[N+]1(CCC2=CC=CC=C2C1O)[O-])OS(=O)(=O)O

Isomeric SMILES

CCCCCC(C(C)[N+]1(CCC2=CC=CC=C2C1O)[O-])OS(=O)(=O)O

InChI

InChI=1S/C17H27NO6S/c1-3-4-5-10-16(24-25(21,22)23)13(2)18(20)12-11-14-8-6-7-9-15(14)17(18)19/h6-9,13,16-17,19H,3-5,10-12H2,1-2H3,(H,21,22,23)