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

Systemtic Name: 2-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(E)-3-p-phenetylacryloyl]piperazin-1-ium-1-yl]acetamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-3-21-7-5-6-8-23(21)26-24(29)19-27-15-17-28(18-16-27)25(30)14-11-20-9-12-22(13-10-20)31-4-2/h5-14H,3-4,15-19H2,1-2H3,(H,26,29)/p+1/b14-11+