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

Systemtic Name: 2-[4-[2-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-[2-(4-chloro-2-isopropyl-5-methyl-phenoxy)acetyl]piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H33ClN3O4+ MolecularWeight: 438.96812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3

InChI

InChI=1S/C22H32ClN3O4/c1-16(2)18-13-19(23)17(3)12-20(18)30-15-22(28)25-6-4-24(5-7-25)14-21(27)26-8-10-29-11-9-26/h12-13,16H,4-11,14-15H2,1-3H3/p+1