(E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-(2-propan-2-yloxyphenyl)piperazin-4-ium

Systemtic Name: (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate; 1-(2-propan-2-yloxyphenyl)piperazin-4-ium Openeye Name: (E)-4-hydroxy-4-oxo-but-2-enoate; 1-(2-isopropoxyphenyl)piperazin-4-ium CAS Name: (E)-4-hydroxy-4-oxo-2-butenoate; 1-(2-propan-2-yloxyphenyl)piperazin-4-ium IUPAC Name: (E)-4-hydroxy-4-oxobut-2-enoate; 1-(2-propan-2-yloxyphenyl)piperazin-4-ium Traditional Name: (E)-4-hydroxy-4-keto-but-2-enoate; 1-(2-isopropoxyphenyl)piperazin-4-ium Formula: C17H24N2O5 MolecularWeight: 336.38286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CC[NH2+]CC2.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CC[NH2+]CC2.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H20N2O.C4H4O4/c1-11(2)16-13-6-4-3-5-12(13)15-9-7-14-8-10-15;5-3(6)1-2-4(7)8/h3-6,11,14H,7-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+