3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one sulfate

Systemtic Name: 3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one sulfate Openeye Name: 1-(6-methoxy-4-quinolyl)-3-(3-vinyl-4-piperidyl)propan-1-one sulfate CAS Name: 3-(3-ethenyl-4-piperidinyl)-1-(6-methoxy-4-quinolinyl)-1-propanone sulfate IUPAC Name: 3-(3-ethenylpiperidin-4-yl)-1-(6-methoxyquinolin-4-yl)propan-1-one sulfate Traditional Name: 1-(6-methoxy-4-quinolyl)-3-(3-vinyl-4-piperidyl)propan-1-one sulfate Formula: C20H24N2O6S-2 MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(=O)CCC3CCNCC3C=C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H24N2O2.H2O4S/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19;1-5(2,3)4/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3;(H2,1,2,3,4)/p-2