2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxy-oxomethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 2-ethylhexyl-[3-(1H-imidazol-5-yl)propoxycarbonyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(=O)OCCCC1=CN=CN1.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCCC(CC)C[NH2+]C(=O)OCCCC1=CN=CN1.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H27N3O2.C4H4O4/c1-3-5-7-13(4-2)10-17-15(19)20-9-6-8-14-11-16-12-18-14;5-3(6)1-2-4(7)8/h11-13H,3-10H2,1-2H3,(H,16,18)(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1-