6-ethoxy-2-ethyl-isoquinolin-2-ium; hydron; sulfate

Systemtic Name: 6-ethoxy-2-ethyl-isoquinolin-2-ium; hydron; sulfate Openeye Name: 6-ethoxy-2-ethyl-isoquinolin-2-ium; hydron; sulfate CAS Name: 6-ethoxy-2-ethylisoquinolin-2-ium; hydron; sulfate IUPAC Name: 6-ethoxy-2-ethylisoquinolin-2-ium; hydron; sulfate Traditional Name: 6-ethoxy-2-ethyl-isoquinolin-2-ium; hydron; sulfate Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC[N+]1=CC2=C(C=C1)C=C(C=C2)OCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].CC[N+]1=CC2=C(C=C1)C=C(C=C2)OCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H16NO.H2O4S/c1-3-14-8-7-11-9-13(15-4-2)6-5-12(11)10-14;1-5(2,3)4/h5-10H,3-4H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1