[2-(2-methoxy-4-propyl-phenoxy)ethylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [2-(2-methoxy-4-propyl-phenoxy)ethylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [2-(2-methoxy-4-propyl-phenoxy)ethylamino]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [2-(2-methoxy-4-propylphenoxy)ethylamino]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; [2-(2-methoxy-4-propylphenoxy)ethylamino]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [2-(2-methoxy-4-propyl-phenoxy)ethylamino]ammonium Formula: C16H24N2O6 MolecularWeight: 340.37156

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCCN[NH3+])OC.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCCN[NH3+])OC.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H20N2O2.C4H4O4/c1-3-4-10-5-6-11(12(9-10)15-2)16-8-7-14-13;5-3(6)1-2-4(7)8/h5-6,9,14H,3-4,7-8,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-