2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(E)-3-(4-cyanophenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[(E)-3-(4-cyanophenyl)acryloyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H26N4O2/c1-2-21-5-3-4-6-22(21)26-23(29)18-27-13-15-28(16-14-27)24(30)12-11-19-7-9-20(17-25)10-8-19/h3-12H,2,13-16,18H2,1H3,(H,26,29)/p+1/b12-11+