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

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acrylamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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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=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H24N4OS/c27-22(11-10-18-15-24-26(17-18)19-7-2-1-3-8-19)23-16-20(21-9-6-14-28-21)25-12-4-5-13-25/h1-3,6-11,14-15,17,20H,4-5,12-13,16H2,(H,23,27)/p+1/b11-10+/t20-/m0/s1