(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 1-phenethyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-5-ium Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=CC=CC2=C(N1)CCC3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

C1C[N+]2=CC=CC2=C(N1)CCC3=CC=CC=C3.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C15H16N2.C4H4O4/c1-2-5-13(6-3-1)8-9-14-15-7-4-11-17(15)12-10-16-14;5-3(6)1-2-4(7)8/h1-7,11H,8-10,12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+