ethyl-[2-(2-methylindolizin-3-yl)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: ethyl-[2-(2-methylindolizin-3-yl)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: ethyl-[2-(2-methylindolizin-3-yl)ethyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: ethyl-[2-(2-methyl-3-indolizinyl)ethyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: ethyl-[2-(2-methylindolizin-3-yl)ethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: ethyl-[2-(2-methylindolizin-3-yl)ethyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]CCC1=C(C=C2N1C=CC=C2)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH2+]CCC1=C(C=C2N1C=CC=C2)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H18N2.C4H4O4/c1-3-14-8-7-13-11(2)10-12-6-4-5-9-15(12)13;5-3(6)1-2-4(7)8/h4-6,9-10,14H,3,7-8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-