2-[2-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-morpholino-ethanone CAS Name: 2-[2-methoxy-4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-methoxy-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]-2-methoxy-phenoxy]-1-morpholino-ethanone Formula: C27H34N3O5+ MolecularWeight: 480.57596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)OCC(=O)N4CCOCC4

InChI

InChI=1S/C27H33N3O5/c1-33-25-20-23(9-10-24(25)35-21-26(31)29-16-18-34-19-17-29)27(32)30-14-12-28(13-15-30)11-5-8-22-6-3-2-4-7-22/h2-10,20H,11-19,21H2,1H3/p+1/b8-5+