(Z)-4-oxidanylidene-4-piperazin-4-ium-1-yl-but-2-enoate

Systemtic Name: (Z)-4-oxidanylidene-4-piperazin-4-ium-1-yl-but-2-enoate Openeye Name: (Z)-4-oxo-4-piperazin-4-ium-1-yl-but-2-enoate CAS Name: (Z)-4-oxo-4-(1-piperazin-4-iumyl)-2-butenoate IUPAC Name: (Z)-4-oxo-4-piperazin-4-ium-1-ylbut-2-enoate Traditional Name: (Z)-4-keto-4-piperazin-4-ium-1-yl-but-2-enoate Formula: C8H12N2O3 MolecularWeight: 184.19248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)/C=C\C(=O)[O-]

InChI

InChI=1S/C8H12N2O3/c11-7(1-2-8(12)13)10-5-3-9-4-6-10/h1-2,9H,3-6H2,(H,12,13)/b2-1-