ethyl (E)-2-cyano-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]prop-2-enoate CAS Name: (E)-2-cyano-3-[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]acrylic acid ethyl ester Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC=C(C#N)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2N/C=C(\C#N)/C(=O)OCC

InChI

InChI=1S/C18H24N4O2/c1-3-21-9-11-22(12-10-21)17-8-6-5-7-16(17)20-14-15(13-19)18(23)24-4-2/h5-8,14,20H,3-4,9-12H2,1-2H3/p+1/b15-14+