(Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-2-cyano-3-[5-(2-nitrophenyl)-2-furanyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-2-cyano-3-[5-(2-nitrophenyl)-2-furyl]-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)/C(=C\C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H22N4O4/c22-15-16(21(26)23-10-13-24-11-4-1-5-12-24)14-17-8-9-20(29-17)18-6-2-3-7-19(18)25(27)28/h2-3,6-9,14H,1,4-5,10-13H2,(H,23,26)/p+1/b16-14-