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

Systemtic Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxy-ethanone Openeye Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2-(2-naphthyloxy)ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2-(2-naphthalenyloxy)ethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2-naphthalen-2-yloxyethanone Traditional Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N2O2/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19/h4-9,14,16H,3,10-13,15H2,1-2H3/p+1/t16-/m0/s1