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

Systemtic Name: (Z)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-3-[5-(3-bromophenyl)-2-furyl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-3-[5-(3-bromophenyl)-2-furanyl]-2-cyano-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-3-[5-(3-bromophenyl)furan-2-yl]-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-3-[5-(3-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(=CC=C3)Br)C#N

Isomeric SMILES

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

InChI

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