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

Systemtic Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-(4-chloranylphenoxy)ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2-(4-chlorophenoxy)ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Traditional Name: 2-(4-chlorophenoxy)-1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]ethanone Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O2/c1-3-13(2)18-8-10-19(11-9-18)16(20)12-21-15-6-4-14(17)5-7-15/h4-7,13H,3,8-12H2,1-2H3/p+1/t13-/m0/s1