(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-3-[5-(4-bromophenyl)-2-furanyl]-2-cyano-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C21H23BrN3O2+ MolecularWeight: 429.33022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c22-18-6-4-16(5-7-18)20-9-8-19(27-20)14-17(15-23)21(26)24-10-13-25-11-2-1-3-12-25/h4-9,14H,1-3,10-13H2,(H,24,26)/p+1/b17-14-