N-(2-ethylphenyl)-2-[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(8-quinolyl)prop-2-enoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[(E)-1-oxo-3-(8-quinolinyl)prop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[(E)-3-(8-quinolyl)acryloyl]piperazin-1-ium-1-yl]acetamide Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H28N4O2/c1-2-20-7-3-4-11-23(20)28-24(31)19-29-15-17-30(18-16-29)25(32)13-12-22-9-5-8-21-10-6-14-27-26(21)22/h3-14H,2,15-19H2,1H3,(H,28,31)/p+1/b13-12+