(E)-3-(5-nitrofuran-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(5-nitro-2-furyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(5-nitro-2-furanyl)-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(5-nitro-2-furyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)CNC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c23-18(9-7-17-8-10-19(26-17)22(24)25)20-13-15-3-5-16(6-4-15)14-21-11-1-2-12-21/h3-10H,1-2,11-14H2,(H,20,23)/p+1/b9-7+