1-[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]ethanone

Systemtic Name: 1-[2-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]ethanone Openeye Name: 1-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]ethanone CAS Name: 1-[2-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]ethanone IUPAC Name: 1-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]ethanone Traditional Name: 1-[2-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]ethanone Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3/p+1/t14-/m0/s1