(E)-3-(furan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acrylamide Formula: C17H20N3O2+ MolecularWeight: 298.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C17H19N3O2/c21-17(8-6-15-4-3-11-22-15)19-13-14-5-7-16(18-12-14)20-9-1-2-10-20/h3-8,11-12H,1-2,9-10,13H2,(H,19,21)/p+1/b8-6+