(E)-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(4-methylpiperazin-1-yl)-3-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(4-methylpiperazino)-3-pyridyl]acrylic acid Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)C=CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)/C=C/C(=O)O

InChI

InChI=1S/C13H17N3O2/c1-15-6-8-16(9-7-15)12-4-2-11(10-14-12)3-5-13(17)18/h2-5,10H,6-9H2,1H3,(H,17,18)/b5-3+