(E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (E)-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)acrylamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=CC(=O)NCC[NH+]3CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C/C(=O)NCC[NH+]3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-31-23-12-6-5-11-22(23)25-20(19-29(27-25)21-9-3-2-4-10-21)13-14-24(30)26-15-18-28-16-7-8-17-28/h2-6,9-14,19H,7-8,15-18H2,1H3,(H,26,30)/p+1/b14-13+