ethyl (Z)-2-cyano-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]prop-2-enoate

Systemtic Name: ethyl (Z)-2-cyano-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]prop-2-enoate Openeye Name: ethyl (Z)-3-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]phenyl]-2-cyano-prop-2-enoate CAS Name: (Z)-2-cyano-3-[4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (Z)-2-cyano-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]prop-2-enoate Traditional Name: (Z)-3-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]phenyl]-2-cyano-acrylic acid ethyl ester Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)/C#N

InChI

InChI=1S/C25H27N3O2/c1-2-30-25(29)23(20-26)19-22-10-12-24(13-11-22)28-17-15-27(16-18-28)14-6-9-21-7-4-3-5-8-21/h3-13,19H,2,14-18H2,1H3/p+1/b9-6+,23-19-