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

Systemtic Name: N-(2-methoxydibenzofuran-3-yl)-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-methoxydibenzofuran-3-yl)acetamide CAS Name: N-(2-methoxy-3-dibenzofuranyl)-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methoxydibenzofuran-3-yl)-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-methoxydibenzofuran-3-yl)acetamide Formula: C28H30N3O3+ MolecularWeight: 456.5561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C[NH+]4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O3/c1-33-27-18-23-22-11-5-6-12-25(22)34-26(23)19-24(27)29-28(32)20-31-16-14-30(15-17-31)13-7-10-21-8-3-2-4-9-21/h2-12,18-19H,13-17,20H2,1H3,(H,29,32)/p+1/b10-7+