1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C

InChI

InChI=1S/C17H26N2O2/c1-4-15(3)18-8-10-19(11-9-18)17(20)13-21-16-7-5-6-14(2)12-16/h5-7,12,15H,4,8-11,13H2,1-3H3/p+1/t15-/m0/s1