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

Systemtic Name: (E)-3-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]prop-2-enamide Openeye Name: (E)-3-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]prop-2-enamide CAS Name: (E)-3-(2-nitrophenyl)-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-2-propenamide IUPAC Name: (E)-3-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]prop-2-enamide Traditional Name: (E)-3-(2-nitrophenyl)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acrylamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)/C=C/C2=CC=CC=C2[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H21N3O3S/c23-19(10-9-15-6-1-2-7-16(15)22(24)25)20-14-17(18-8-5-13-26-18)21-11-3-4-12-21/h1-2,5-10,13,17H,3-4,11-12,14H2,(H,20,23)/p+1/b10-9+/t17-/m0/s1