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

Systemtic Name: (Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-3-[5-(2-chlorophenyl)-2-furyl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-3-[5-(2-chlorophenyl)-2-furanyl]-2-cyano-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-3-[5-(2-chlorophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-3-[5-(2-chlorophenyl)-2-furyl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)/C(=C\C2=CC=C(O2)C3=CC=CC=C3Cl)/C#N

InChI

InChI=1S/C21H22ClN3O2/c22-19-7-3-2-6-18(19)20-9-8-17(27-20)14-16(15-23)21(26)24-10-13-25-11-4-1-5-12-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,26)/p+1/b16-14-