2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-yl-azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; isopropyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-ylammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; 2-(2-methyl-1,3-benzodioxol-2-yl)ethyl-propan-2-ylazanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; isopropyl-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]ammonium Formula: C17H23NO6 MolecularWeight: 337.36762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CCC1(OC2=CC=CC=C2O1)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)[NH2+]CCC1(OC2=CC=CC=C2O1)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H19NO2.C4H4O4/c1-10(2)14-9-8-13(3)15-11-6-4-5-7-12(11)16-13;5-3(6)1-2-4(7)8/h4-7,10,14H,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-