2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-(2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C22H33N3O4/c1-17(2)19-5-4-18(3)14-20(19)29-16-22(27)24-8-6-23(7-9-24)15-21(26)25-10-12-28-13-11-25/h4-5,14,17H,6-13,15-16H2,1-3H3/p+1