(E)-3-(furan-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-3-(furan-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]prop-2-enamide Openeye Name: (E)-3-(2-furyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]prop-2-enamide CAS Name: (E)-3-(2-furanyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-propenamide IUPAC Name: (E)-3-(furan-2-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]prop-2-enamide Traditional Name: (E)-3-(2-furyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acrylamide Formula: C20H25N2O2+ MolecularWeight: 325.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C20H24N2O2/c23-20(11-10-19-9-5-15-24-19)21-18-8-4-13-22(16-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,9-11,15,18H,4,8,12-14,16H2,(H,21,23)/p+1/b11-10+/t18-/m0/s1