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

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(5-nitro-2-furyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(5-nitro-2-furanyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(5-nitro-2-furyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4/c24-19(10-8-18-9-11-20(27-18)23(25)26)21-14-16-6-2-3-7-17(16)15-22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-15H2,(H,21,24)/p+1/b10-8+