(E)-3-(1-phenylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acrylamide Formula: C24H27N4O+ MolecularWeight: 387.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c29-24(14-13-20-17-26-28(19-20)22-11-5-2-6-12-22)25-18-23(27-15-7-8-16-27)21-9-3-1-4-10-21/h1-6,9-14,17,19,23H,7-8,15-16,18H2,(H,25,29)/p+1/b14-13+/t23-/m0/s1