(E)-N-(1-ethylpiperidin-1-ium-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-N-(1-ethylpiperidin-1-ium-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-N-(1-ethylpiperidin-1-ium-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-(1-ethyl-4-piperidin-1-iumyl)-3-[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-(1-ethylpiperidin-1-ium-4-yl)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-N-(1-ethylpiperidin-1-ium-4-yl)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C25H28FN4O+ MolecularWeight: 419.514423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C=CC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H27FN4O/c1-2-29-16-14-22(15-17-29)27-24(31)13-10-20-18-30(23-6-4-3-5-7-23)28-25(20)19-8-11-21(26)12-9-19/h3-13,18,22H,2,14-17H2,1H3,(H,27,31)/p+1/b13-10+