(E)-3-(furan-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(furan-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C17H20N3O2+ MolecularWeight: 298.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C17H19N3O2/c21-17(4-3-16-2-1-13-22-16)20-11-9-19(10-12-20)14-15-5-7-18-8-6-15/h1-8,13H,9-12,14H2/p+1/b4-3+