(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(2-furylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(2-furanylmethyl)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propenamide IUPAC Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(4-benzylpiperazin-4-ium-1-yl)-2-cyano-N-(2-furfuryl)acrylamide Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C=C(C#N)C(=O)NCC3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H22N4O2/c21-13-18(20(25)22-14-19-7-4-12-26-19)16-24-10-8-23(9-11-24)15-17-5-2-1-3-6-17/h1-7,12,16H,8-11,14-15H2,(H,22,25)/p+1/b18-16+