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

Systemtic Name: (E)-3-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-[4-(2-oxo-1-pyrrolidinyl)phenyl]-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-[4-(2-ketopyrrolidino)phenyl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acrylamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C=CC2=CC=C(C=C2)N3CCCC3=O)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O)C4=CC=CS4

InChI

InChI=1S/C23H27N3O2S/c27-22(24-17-20(21-5-4-16-29-21)25-13-1-2-14-25)12-9-18-7-10-19(11-8-18)26-15-3-6-23(26)28/h4-5,7-12,16,20H,1-3,6,13-15,17H2,(H,24,27)/p+1/b12-9+/t20-/m0/s1