(E)-4-oxidanylidene-4-(4-propylpiperazin-4-ium-1-yl)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(4-propylpiperazin-4-ium-1-yl)but-2-enoate Openeye Name: (E)-4-oxo-4-(4-propylpiperazin-4-ium-1-yl)but-2-enoate CAS Name: (E)-4-oxo-4-(4-propyl-1-piperazin-4-iumyl)-2-butenoate IUPAC Name: (E)-4-oxo-4-(4-propylpiperazin-4-ium-1-yl)but-2-enoate Traditional Name: (E)-4-keto-4-(4-propylpiperazin-4-ium-1-yl)but-2-enoate Formula: C11H18N2O3 MolecularWeight: 226.27222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C=CC(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C11H18N2O3/c1-2-5-12-6-8-13(9-7-12)10(14)3-4-11(15)16/h3-4H,2,5-9H2,1H3,(H,15,16)/b4-3+