2-(3-methylphenoxy)-1-(4-propan-2-ylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-(4-propan-2-ylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-isopropylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone CAS Name: 2-(3-methylphenoxy)-1-(4-propan-2-yl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(3-methylphenoxy)-1-(4-propan-2-ylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-isopropylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-13(2)17-7-9-18(10-8-17)16(19)12-20-15-6-4-5-14(3)11-15/h4-6,11,13H,7-10,12H2,1-3H3/p+1