N-(2-ethylphenyl)-2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[1-[(E)-3-phenylacryloyl]isonipecotoyl]piperazin-1-ium-1-yl]acetamide Formula: C29H37N4O3+ MolecularWeight: 489.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H36N4O3/c1-2-24-10-6-7-11-26(24)30-27(34)22-31-18-20-33(21-19-31)29(36)25-14-16-32(17-15-25)28(35)13-12-23-8-4-3-5-9-23/h3-13,25H,2,14-22H2,1H3,(H,30,34)/p+1/b13-12+