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

Systemtic Name: methyl-[2-(2-methylindolizin-3-yl)ethyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; methyl-[2-(2-methylindolizin-3-yl)ethyl]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; methyl-[2-(2-methyl-3-indolizinyl)ethyl]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; methyl-[2-(2-methylindolizin-3-yl)ethyl]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; methyl-[2-(2-methylindolizin-3-yl)ethyl]ammonium Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CC=CC2=C1)CC[NH2+]C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(N2C=CC=CC2=C1)CC[NH2+]C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C12H16N2.C4H4O4/c1-10-9-11-5-3-4-8-14(11)12(10)6-7-13-2;5-3(6)1-2-4(7)8/h3-5,8-9,13H,6-7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-