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

Systemtic Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-3-14(2)17-9-11-18(12-10-17)16(19)13-15-7-5-4-6-8-15/h4-8,14H,3,9-13H2,1-2H3/p+1/t14-/m0/s1