N-(2-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-[(E)-cinnamyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O/c1-2-21-12-6-7-13-22(21)24-23(27)19-26-17-15-25(16-18-26)14-8-11-20-9-4-3-5-10-20/h3-13H,2,14-19H2,1H3,(H,24,27)/p+1/b11-8+