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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c29-24(13-12-20-16-26-28(18-20)23-10-2-1-3-11-23)25-17-21-8-4-5-9-22(21)19-27-14-6-7-15-27/h1-5,8-13,16,18H,6-7,14-15,17,19H2,(H,25,29)/p+1/b13-12+