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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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